SCHEMBL933461

SCHEMBL933461

CCC(=O)Cc1ccc(O)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
ALDH1A1 P00352 2/20 0.71
GAA P10253 2/20 0.71
NFKB1 P19838 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
ALOX5 P09917 2/20 0.60
OR51E2 Q9H255 1/20 0.60
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C8 P10632 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2B6 P20813 1/20 0.56
CYP2C19 P33261 1/20 0.56
TAAR1 Q96RJ0 2/20 0.56
MAPK1 P28482 1/20 0.56
CALM1 P0DP23 1/20 0.55
FOS P01100 1/20 0.54
TTR P02766 1/20 0.54
JUN P05412 1/20 0.54
NR3C1 P04150 1/20 0.54

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
SCHEMBL7114863 0.91 TSHR (0.77) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL6060528 0.87 GAA (0.55) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL10513612 0.87 GAA (0.71) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL11115600 0.87 TSHR (0.71) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL31618757 0.86 LMNA (0.58) ALDH1A1GAACYP3A4CYP1A2CYP2C19
SCHEMBL8373034 0.86 LMNA (0.58) ALDH1A1GAACYP3A4CYP1A2CYP2C19
SCHEMBL15540877 0.85 GAA (0.69) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL22123639 0.85 ALDH1A1 (0.51) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL28339986 0.85 TSHR (0.69) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL9040078 0.85 TSHR (0.73) TSHRALDH1A1GAANFKB1TDP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451928-A1 A PROCESS FOR PREPARING A PERFUME PARTICLE The Procter & Gamble Company (US) 2012-05-16 EP disclosed
CN-102256488-A Therapeutic compositions and methods for treating chronic kidney disease with metabolic imbalance JOHNSON RICHARD J 2011-11-23 CN disclosed
WO-2011005816-A1 A PROCESS FOR PREPARING A PERFUME PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-01-13 WO disclosed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO disclosed
EP-2046311-A2 DIOXO-ALKANES AND DIOXO-ALKENES Phytopharm Plc (GB) 2009-04-15 EP disclosed
WO-2008003978-A2 DIOXO-ALKANES AND DIOXO-ALKENES PHYTOPHARM PLC (GB) 2008-01-10 WO disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO disclosed