SCHEMBL6635865

SCHEMBL6635865

CC(=O)OCc1cc(-c2ccccc2)c(C(=O)O)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.42
ALDH1A1 P00352 2/20 0.41
FOLH1 Q04609 1/20 0.41
GABRA5 P31644 1/20 0.41
NOTUM Q6P988 1/20 0.40
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
TACR1 P25103 2/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FABP4 P15090 1/20 0.36
PLK1 P53350 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL6637890 0.87 FOLH1 (0.43) BACE1FOLH1GABRA5TACR1FABP4
SCHEMBL6637281 0.83 HSP90AA1 (0.49) FOLH1TACR1AKR1C3AKR1C2FABP4
SCHEMBL6637411 0.78 LTB4R (0.43) ALDH1A1FOLH1GABRA5TACR1KDM4E
SCHEMBL6682318 0.76 TAS2R14 (0.50) FOLH1GABRA5NOTUMTACR1FABP4
SCHEMBL27821178 0.74 ALDH1A1 (0.45) BACE1ALDH1A1FOLH1CYP2C19MEN1
SCHEMBL14446886 0.73 MAOB (0.60) ALDH1A1TACR1KDM4EMAOAMAOB
SCHEMBL6639868 0.73 PRKAB2 (0.44) ALDH1A1FOLH1NOTUMAKR1C2FABP4
SCHEMBL6639317 0.72 CFTR (0.44) ALDH1A1NOTUMCYP2C19MEN1CYP1A2
SCHEMBL5067098 0.72 ALDH1A1 (0.56) BACE1ALDH1A1FOLH1KMT2A
SCHEMBL6638442 0.72 CYP3A4 (0.44) ALDH1A1NOTUMMEN1KMT2ATACR1

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