SCHEMBL7725085

SCHEMBL7725085

CCC(O)COc1ccc(CCCC(=O)O)cc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
CYP1A2 P05177 2/20 0.44
PTGDR2 Q9Y5Y4 7/20 0.43
PLA2G10 O15496 1/20 0.43
PLA2G2A P14555 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7735382 0.93 FFAR4 (0.48) PPARGPPARDPPARAPTGDR2SLC6A3
SCHEMBL7734083 0.90 PTPN1 (0.48) PPARGPPARDPPARAPTGDR2CYP2D6
SCHEMBL7735870 0.89 PPARD (0.47) PPARGPPARDPPARACYP1A2PTGDR2
SCHEMBL7734077 0.87 PPARD (0.47) PPARGPPARDPPARACYP1A2PTGDR2
SCHEMBL7735390 0.85 PTPN1 (0.55) CYP1A2CYP2D6MAPK1ADRA1ASLC6A3
SCHEMBL7724925 0.83 THRA (0.52) PPARGPPARDPPARACYP1A2PTGDR2
SCHEMBL7725029 0.83 CYP1A2 (0.52) PPARGPPARDPPARACYP1A2PTGDR2
SCHEMBL7733989 0.82 THRA (0.56) PPARGPPARDPPARACYP1A2PTGDR2
SCHEMBL7734061 0.82 PPARD (0.52) PPARGPPARDPPARACYP1A2PTGDR2
SCHEMBL7725122 0.82 PTGDR2 (0.60) CYP1A2PTGDR2PLA2G10PLA2G2APTGER1

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
CN-1103332-C Biphenyl-5-alkanoic acid derivs. and use thereof ASAHI CHEMICAL IND (JP) 2003-03-19 CN claimed
US-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US claimed
CN-1276778-A Biphenyl-5-alkanoic acid derivs. and use thereof ASAHI CHEMICAL IND (JP) 2000-12-13 CN claimed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP claimed
CN-1103332-C Biphenyl-5-alkanoic acid derivs. and use thereof ASAHI CHEMICAL IND (JP) 2003-03-19 CN disclosed
US-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
CN-1276778-A Biphenyl-5-alkanoic acid derivs. and use thereof ASAHI CHEMICAL IND (JP) 2000-12-13 CN disclosed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP disclosed