SCHEMBL6637890

SCHEMBL6637890

COCc1cc(-c2ccccc2)c(C(=O)O)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.43
GABRA5 P31644 1/20 0.42
S1PR1 P21453 2/20 0.39
EPHX2 P34913 1/20 0.39
BACE1 P56817 1/20 0.39
TACR1 P25103 2/20 0.38
S1PR3 Q99500 1/20 0.38
TRPA1 O75762 1/20 0.38
FABP4 P15090 1/20 0.38
PLK1 P53350 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DCLRE1A Q6PJP8 1/20 0.38
DCLRE1B Q9H816 1/20 0.38
MCL1 Q07820 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PTGER4 P35408 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL6635865 0.87 BACE1 (0.42) FOLH1GABRA5S1PR1BACE1TACR1
SCHEMBL6637281 0.85 HSP90AA1 (0.49) FOLH1S1PR1TACR1S1PR3FABP4
SCHEMBL6637411 0.80 LTB4R (0.43) FOLH1GABRA5S1PR1TACR1S1PR3
SCHEMBL6682318 0.77 TAS2R14 (0.50) FOLH1GABRA5S1PR1TACR1S1PR3
SCHEMBL6639317 0.77 CFTR (0.44) S1PR1EPHX2PLK1
SCHEMBL6638442 0.76 CYP3A4 (0.44) S1PR1EPHX2TACR1PLK1
SCHEMBL6639868 0.75 PRKAB2 (0.44) FOLH1FABP4PTPN1
SCHEMBL5788411 0.74 ALDH1A1 (0.53) S1PR1BACE1
SCHEMBL28776910 0.73 BCAT2 (0.45) S1PR1TACR1S1PR3PLK1HSP90AA1
SCHEMBL8070699 0.72 TAS2R14 (0.47) S1PR1S1PR3FABP4PLK1PTPN1

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
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed