SCHEMBL7734073

SCHEMBL7734073

CCCCOc1c(-c2ccccc2)cc(CCCC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MAPT P10636 2/20 0.41
PPARG P37231 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
HDAC3 O15379 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
HDAC4 P56524 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL7734876 0.95 THRA (0.47) ALDH1A1TDP1THRATHRBPDCD1
SCHEMBL7735710 0.91 ALDH1A1 (0.45) ALDH1A1TDP1PDCD1CD274MAPT
SCHEMBL7737488 0.88 PTPN1 (0.44) ALDH1A1TDP1THRATHRBPDCD1
SCHEMBL27406924 0.85 LTB4R (0.41) ALDH1A1TDP1PDCD1CD274MAPT
SCHEMBL7725105 0.81 FFAR4 (0.46) THRATHRBFFAR1FFAR4PPARG
SCHEMBL27406922 0.81 PTGS2 (0.41) ALDH1A1TDP1PDCD1CD274FFAR1
SCHEMBL7734916 0.79 NR3C1 (0.44) ALDH1A1THRATHRBFFAR4PPARG
SCHEMBL7735232 0.79 THRA (0.41) ALDH1A1THRATHRBFFAR1FFAR4
SCHEMBL3885728 0.78 FFAR1 (0.48) FFAR1FFAR4NPC1RAB9AHDAC1
SCHEMBL7735387 0.78 THRA (0.41) ALDH1A1THRATHRBFFAR1FFAR4

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