SCHEMBL7734876

SCHEMBL7734876

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
FFAR1 O14842 9/20 0.42
FFAR4 Q5NUL3 6/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FBP1 P09467 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
RXRA P19793 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
SCHEMBL7734073 0.95 ALDH1A1 (0.43) THRATHRBFFAR1FFAR4PDCD1
SCHEMBL7737488 0.91 PTPN1 (0.44) THRATHRBPDCD1CD274LMNA
SCHEMBL7735710 0.88 ALDH1A1 (0.45) PDCD1CD274LMNAL3MBTL1ALDH1A1
SCHEMBL27406924 0.85 LTB4R (0.41) PDCD1CD274ALDH1A1MAPTTDP1
SCHEMBL3885728 0.81 FFAR1 (0.48) FFAR1FFAR4
SCHEMBL27406922 0.81 PTGS2 (0.41) FFAR1FFAR4PDCD1CD274L3MBTL1
SCHEMBL3882034 0.79 THRA (0.49) THRATHRBFFAR1FFAR4AKR1C3
SCHEMBL7734873 0.79 THRA (0.46) THRATHRBFFAR1FFAR4LMNA
SCHEMBL7733974 0.78 THRA (0.47) THRATHRBFFAR1FFAR4LMNA
SCHEMBL3885405 0.78 FFAR1 (0.46) THRATHRBFFAR1FFAR4

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