SCHEMBL7735866

SCHEMBL7735866

O=C(O)CCCc1ccc(OCCCCO)c(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
PLA2G10 O15496 1/20 0.47
PLA2G2A P14555 1/20 0.47
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL27404781 0.94 FFAR1 (0.51) FFAR1SLC6A9PTGDR2THRATHRB
SCHEMBL7725029 0.93 CYP1A2 (0.52) CYP1A2PLA2G10PLA2G2APTGER1PTGER4
SCHEMBL7724415 0.92 CYP1A2 (0.51) CYP1A2PLA2G10PLA2G2APTGER1PTGER4
SCHEMBL7734076 0.91 CYP1A2 (0.48) CYP1A2PLA2G10PLA2G2APTGER1PTGER4
SCHEMBL7735325 0.90 CYP1A2 (0.47) CYP1A2PLA2G10PLA2G2APTGER1PTGER4
SCHEMBL7733989 0.90 THRA (0.56) CYP1A2PLA2G10PLA2G2APTGER1PTGER4
SCHEMBL7724925 0.89 THRA (0.52) CYP1A2PLA2G10PLA2G2APTGER1PTGER4
SCHEMBL7725122 0.87 PTGDR2 (0.60) CYP1A2PLA2G10PLA2G2APTGER1PTGER4
SCHEMBL7725133 0.85 PPARD (0.52) CYP1A2PLA2G10PLA2G2APTGER1PTGER4
SCHEMBL7725003 0.85 PTGDR2 (0.47) CYP1A2PLA2G10PLA2G2APTGER1PTGER4

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