SCHEMBL6637281

SCHEMBL6637281

O=C(O)c1cc(C(F)(F)F)c(CO)cc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
FOLH1 Q04609 1/20 0.48
DCLRE1A Q6PJP8 1/20 0.42
DCLRE1B Q9H816 1/20 0.42
DHODH Q02127 1/20 0.42
FABP4 P15090 1/20 0.42
PTPN1 P18031 4/20 0.41
PTPN2 P17706 2/20 0.41
PTPN6 P29350 2/20 0.41
S1PR1 P21453 2/20 0.40
NTRK1 P04629 1/20 0.39
POLQ O75417 2/20 0.39
TACR1 P25103 1/20 0.39
HNF4A P41235 1/20 0.39
PLK1 P53350 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
S1PR3 Q99500 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 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
SCHEMBL6637890 0.85 FOLH1 (0.43) HSP90AA1HSP90AB1FOLH1DCLRE1ADCLRE1B
SCHEMBL6635865 0.83 BACE1 (0.42) FOLH1DCLRE1ADCLRE1BFABP4S1PR1
SCHEMBL6637411 0.83 LTB4R (0.43) FOLH1S1PR1POLQTACR1S1PR3
SCHEMBL6639868 0.80 PRKAB2 (0.44) FOLH1FABP4PTPN1AKR1C2AKR1C1
SCHEMBL6682318 0.80 TAS2R14 (0.50) FOLH1FABP4PTPN1S1PR1TACR1
SCHEMBL28776910 0.78 BCAT2 (0.45) HSP90AA1HSP90AB1S1PR1TACR1PLK1
SCHEMBL16529172 0.76 KDM4E (0.47) HSP90AA1HSP90AB1POLQ
Phthalic Acid SCHEMBL3628700 0.76 ALDH1A1 (0.50) FOLH1FABP4POLQAKR1C3AKR1C2
SCHEMBL28087913 0.75 TRPV1 (0.41) HSP90AA1HSP90AB1S1PR1POLQTACR1
SCHEMBL6639317 0.74 CFTR (0.44) S1PR1PLK1

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