SCHEMBL3433832

SCHEMBL3433832

CCC(Cl)(C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP2D6 P10635 1/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KIF11 P52732 1/20 0.40
DRD2 P14416 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
KCNN4 O15554 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27791554 0.86 CYP1A2 (0.47) CYP1A2CYP2C19HIF1ACYP2D6TSHR
SCHEMBL27466589 0.84 CYP1A2 (0.50) CYP1A2CYP2C19HIF1ACYP2D6TSHR
SCHEMBL2032135 0.84 MAPT (0.52) CYP1A2CYP2C19HIF1ACYP2D6TSHR
SCHEMBL7525391 0.84 MIF (0.48) CYP1A2CYP2C19HIF1ACYP2D6TSHR
SCHEMBL27324484 0.81 KCNN4 (0.43) CYP1A2CYP2C19HIF1ACYP2D6TSHR
SCHEMBL3384635 0.81 CYP1A2 (0.56) CYP1A2CYP2C19HIF1ACYP2D6TSHR
SCHEMBL15228092 0.79 CYP1A2 (0.54) CYP1A2CYP2C19HIF1ACYP2D6TSHR
SCHEMBL15125011 0.79 CYP1A2 (0.54) CYP1A2CYP2C19HIF1ACYP2D6TSHR
SCHEMBL2456548 0.79 CYP1A2 (0.54) CYP1A2CYP2C19HIF1ACYP2D6TSHR
SCHEMBL28130890 0.79 TSHR (0.41) CYP1A2CYP2C19HIF1ATSHRALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033635-A1 Short-chain fatty acid derivatives for treating pruritus Asan Laboratories Company (Cayman) Limited (CN) 2009-03-11 EP claimed
EP-1951813-A1 METHOD OF REDUCING THE STYRENE CONTENT OF A POLY (ARYLENE ETHER) POLYSTYRENE BLEND, AND ARTICLES COMPRISING THE RESULTING THERMOPLASTIC RESIN General Electric Company (US) 2008-08-06 EP claimed
US-20080107646-A1 Administering phenylbutyric acid derivative and pharmaceutically acceptable carrier Sunny Pharmtech Inc. (TW) 2008-05-08 US claimed
US-7314909-B2 Method of reducing the styrene content of a poly(arylene ether)/polystyrene blend, and articles comprising the resulting thermoplastic resin GENERAL ELECTRIC COMPANY (US) 2008-01-01 US claimed
WO-2007047217-A1 METHOD OF REDUCING THE STYRENE CONTENT OF A POLY (ARYLENE ETHER) POLYSTYRENE BLEND, AND ARTICLES COMPRISING THE RESULTING THERMOPLASTIC RESIN GENERAL ELECTRIC COMPANY (US) 2007-04-26 WO claimed
US-20070083035-A1 Method of reducing the styrene content of a poly(arylene ether)/polystyrene blend, and articles comprising the resulting thermoplastic resin SABIC GLOBAL TECHNOLOGIES IP B.V. (NL) 2007-04-12 US claimed
EP-1113028-B1 Process for production of olefin polymer with long chain branching BAYER AG (US) 2004-03-31 EP claimed
US-6403646-B1 ADMINISTERING PHENYLBUTYRIC ACID OR DERIVATIVES TO TREAT LIVER DISEASE AND EMPHYSEMA CAUSED BY PROTEASE INHIBITOR TYPE Z MUTATION; STIMULATES SECRETION WITHOUT INCREASING SYNTHESIS OF PROTEIN PERLMUTTER DAVID H (US) 2002-06-11 US claimed
CN-113861019-A Continuous production method for recovering phenylacetic acid from 7-amino-3-vinyl cephalosporanic acid production wastewater 山东普洛得邦医药有限公司 2021-12-31 CN disclosed
CN-110923223-B Novel nitrilase and application thereof 中山大学 2021-10-08 CN disclosed
CN-109415355-A Benzdioxan derivative and its medicinal usage 奥赖恩公司 2019-03-01 CN disclosed
EP-2872524-B1 3-SUBSTITUTED ESTRA-1,3,5(10),16-TETRAENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING SAME, AND USE THEREOF FOR THE PRODUCTION OF MEDICAMENTS Bayer Pharma AG (DE) 2016-08-24 EP disclosed
EP-2872524-A1 3-SUBSTITUTED ESTRA-1,3,5(10),16-TETRAENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING SAME, AND USE THEREOF FOR THE PRODUCTION OF MEDICAMENTS Bayer Pharma Aktiengesellschaft (DE) 2015-05-20 EP disclosed
US-8846039-B2 Method for ameliorating pruritus ASAN LABORATORIES COMPANY (CAYMAN), LIMITED (TW) 2014-09-30 US disclosed
WO-1996038528-A1 BETAINE ESTERS FOR DELIVERY OF ALCOHOLS THE PROCTER & GAMBLE COMPANY (US) 1996-12-05 WO disclosed
EP-0725635-A1 PHENYLACETATE AND DERIVATIVES ALONE OR IN COMBINATION WITH OTHER COMPOUNDS AGAINST NEOPLASTIC CONDITIONS AND OTHER DISORDERS THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-08-14 EP disclosed
WO-1995010271-A2 PHENYLACETATE AND DERIVATIVES ALONE OR IN COMBINATION WITH OTHER COMPOUNDS AGAINST NEOPLASTIC CONDITIONS AND OTHER DISORDERS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-04-20 WO disclosed
EP-0138403-B1 PROCESS FOR PREPARING PHOSPHINIC ACID INTERMEDIATES E.R. Squibb & Sons, Inc. (US) 1989-03-15 EP disclosed
US-4602092-A Method for making phosphinic acid intermediates E. R. SQUIBB & SONS, INC. (US) 1986-07-22 US disclosed
EP-0138403-A2 Process for preparing phosphinic acid intermediates E.R. Squibb & Sons, Inc. (US) 1985-04-24 EP disclosed