SCHEMBL7734080

SCHEMBL7734080

NC(=O)CCCc1ccc(OCC(N)=O)c(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.52
PSMD14 O00487 1/20 0.46
MMP2 P08253 1/20 0.46
BLM P54132 1/20 0.46
HTT P42858 2/20 0.46
PLA2G10 O15496 1/20 0.46
PLA2G2A P14555 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.44
C5AR1 P21730 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACACA Q13085 1/20 0.42
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 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
SCHEMBL7734112 0.95 PTGDR2 (0.53) PTGDR2PSMD14MMP2BLMHTT
SCHEMBL7735154 0.91 C5AR1 (0.50) PTGDR2PLA2G10PLA2G2AKDM4EC5AR1
SCHEMBL7734915 0.91 PTPN1 (0.48) PTGDR2PSMD14MMP2BLMHTT
SCHEMBL7724946 0.90 PTGDR2 (0.56) PTGDR2PSMD14MMP2BLMPLA2G10
SCHEMBL7737444 0.86 THRA (0.51) PTGDR2PLA2G10PLA2G2AKDM4EC5AR1
SCHEMBL7725122 0.85 PTGDR2 (0.60) PTGDR2PLA2G10PLA2G2ACYP2D6CYP2C19
SCHEMBL7735881 0.85 PTPN1 (0.56) PTGDR2PSMD14MMP2BLMHTT
SCHEMBL7725029 0.81 CYP1A2 (0.52) PTGDR2PLA2G10PLA2G2ACYP2D6CYP2C19
SCHEMBL7724415 0.80 CYP1A2 (0.51) PTGDR2PLA2G10PLA2G2ACYP2D6CYP2C19
SCHEMBL7735506 0.80 PTGDR2 (0.63) PTGDR2

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