SCHEMBL1966206

SCHEMBL1966206

CCC(C(=O)O)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.49
AKR1C3 P42330 6/20 0.46
AKR1C2 P52895 6/20 0.46
CNR2 P34972 1/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HIF1A Q16665 1/20 0.40
MC4R P32245 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C1 Q04828 1/20 0.40

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
SCHEMBL30427742 1.00 KCNQ2 (0.49) KCNQ2AKR1C3AKR1C2CNR2CES2
SCHEMBL2395284 0.88 AKR1C3 (0.46) KCNQ2AKR1C3AKR1C2CNR2LMNA
SCHEMBL20282765 0.86 TAS1R3 (0.44) KCNQ2AKR1C3AKR1C2CNR2CES2
SCHEMBL9587796 0.85 KCNQ2 (0.49) KCNQ2AKR1C3AKR1C2CNR2CES2
SCHEMBL10779187 0.84 LMNA (0.51) KCNQ2CNR2CES2CES1GAA
SCHEMBL3364493 0.84 KCNQ2 (0.48) KCNQ2CNR2CES2CES1GAA
SCHEMBL23886713 0.83 CNR2 (0.46) KCNQ2CNR2CES2CES1GAA
SCHEMBL30370725 0.83 CNR2 (0.46) KCNQ2CNR2CES2CES1GAA
SCHEMBL23886715 0.83 CNR2 (0.46) KCNQ2CNR2CES2CES1GAA
SCHEMBL28563997 0.83 MEN1 (0.46) KCNQ2AKR1C3AKR1C2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104910045-A Triad fullerene derivative and preparation method and application thereof UNIV SOOCHOW 2015-09-16 CN claimed
CN-101380317-B Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV PHARMACEUTICAL CO LTD 2010-12-08 CN claimed
EP-2033635-A1 Short-chain fatty acid derivatives for treating pruritus Asan Laboratories Company (Cayman) Limited (CN) 2009-03-11 EP claimed
CN-101380317-A Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV (CN) 2009-03-11 CN claimed
US-20080107646-A1 Administering phenylbutyric acid derivative and pharmaceutically acceptable carrier Sunny Pharmtech Inc. (TW) 2008-05-08 US 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
US-5190946-A Piperazine compounds restore sensitivity to drug resistant cancer cells HOFFMANN-LA ROCHE INC. (US) 1993-03-02 US claimed
EP-0443569-A2 Diamine derivatives and their use in oncology F. HOFFMANN-LA ROCHE AG (CH) 1991-08-28 EP claimed
CN-119639276-A Ink composition, semiconductor nanoparticle-polymer composite prepared therefrom, electronic device, and display device 三星电子株式会社 2025-03-18 CN disclosed
EP-3848364-B1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES AND INTERMEDIATES FOR THEIR PREPARATION SYNGENTA CROP PROTECTION AG (CH) 2024-10-23 EP disclosed
EP-3929197-B1 INTERMEDIATES FOR THE SYNTHESIS OF MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2024-03-06 EP disclosed
EP-3334736-B1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2023-06-28 EP disclosed
EP-3683213-B1 INTERMEDIATE FOR THE PREPARATION OF MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2022-10-12 EP disclosed
EP-3929197-A1 INTERMEDIATES FOR THE SYNTHESIS OF MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-12-29 EP disclosed
US-20080107646-A1 Administering phenylbutyric acid derivative and pharmaceutically acceptable carrier Sunny Pharmtech Inc. (TW) 2008-05-08 US disclosed
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 disclosed
CN-1131390-A Plaster containing -2- (p-fluorophenethyl) -3-fluoroallylamine for treating Alzheimer's disease MERRELL DOW PHARMA (US) 1996-09-18 CN disclosed
US-5190946-A Piperazine compounds restore sensitivity to drug resistant cancer cells HOFFMANN-LA ROCHE INC. (US) 1993-03-02 US disclosed
EP-0443569-A2 Diamine derivatives and their use in oncology F. HOFFMANN-LA ROCHE AG (CH) 1991-08-28 EP disclosed
EP-0295604-A1 (E)-2-(p-Fluorophenethyl)-3-fluoroallylamine MERRELL DOW PHARMACEUTICALS INC. (US) 1988-12-21 EP disclosed