SCHEMBL7734916

SCHEMBL7734916

CCCCOc1c(NS(C)(=O)=O)cc(CCCC(=O)O)cc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.44
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
SQSTM1 Q13501 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
METAP2 P50579 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SLC2A1 P11166 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
SCHEMBL7734873 0.95 THRA (0.46) NR3C1THRATHRBFFAR4KDM4E
SCHEMBL7735362 0.92 PTPN1 (0.39) NR3C1METAP2ALDH1A1TRPV1KDM4E
SCHEMBL7735380 0.89 PTPN1 (0.44) THRATHRBMETAP2ALDH1A1TRPV1
SCHEMBL7735232 0.85 THRA (0.41) THRATHRBALDH1A1FFAR4PPARG
SCHEMBL7735387 0.84 THRA (0.41) THRATHRBALDH1A1FFAR4PPARG
SCHEMBL27430965 0.81 FFAR4 (0.39) KEAP1TRPV1FFAR4KDM4ESLC2A1
SCHEMBL7733974 0.80 THRA (0.47) THRATHRBFFAR4KDM4E
SCHEMBL7725105 0.80 FFAR4 (0.46) THRATHRBTRPV1FFAR4PPARG
SCHEMBL7734073 0.79 ALDH1A1 (0.43) THRATHRBALDH1A1FFAR4PPARG
SCHEMBL7725078 0.78 GABRA1 (0.40) PPARGPPARA

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