SCHEMBL27430965

SCHEMBL27430965

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
ADRB3 P13945 2/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
TRPV1 Q8NER1 5/20 0.37
KEAP1 Q14145 1/20 0.37
GPR88 Q9GZN0 1/20 0.37
P2RY12 Q9H244 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC2A1 P11166 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
WDR5 P61964 1/20 0.36

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 0.82 THRA (0.46) FFAR4KDM4E
SCHEMBL27402109 0.82 S1PR1 (0.40) FFAR4GPR88P2RY12KDM4ES1PR1
SCHEMBL7734916 0.81 NR3C1 (0.44) FFAR4TRPV1KEAP1KDM4ESLC2A1
SCHEMBL27406922 0.80 PTGS2 (0.41) FFAR4GPR88
SCHEMBL27430017 0.78 THRA (0.49) KDM4E
SCHEMBL7735380 0.77 PTPN1 (0.44) ADRB3CA12CA9TRPV1KDM4E
SCHEMBL7735362 0.76 PTPN1 (0.39) ADRB3CA12CA9TRPV1KDM4E
SCHEMBL27406916 0.75 THRA (0.53) KDM4E
SCHEMBL27539979 0.70 KDM4E (0.45) KDM4E
SCHEMBL27428212 0.69 SLC6A9 (0.44) KDM4E

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 2 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 disclosed
CN-1276778-A Biphenyl-5-alkanoic acid derivs. and use thereof ASAHI CHEMICAL IND (JP) 2000-12-13 CN disclosed