SCHEMBL6637342

SCHEMBL6637342

COC1=CC(c2ccccc2)C(C(=O)O)=CC1(OC)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.32
POLB P06746 1/20 0.31
CACNA1D Q01668 3/20 0.30
MAPT P10636 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL6638820 0.80 POLB (0.35) EDNRAPOLBCACNA1DMAPT
SCHEMBL6679547 0.73 HDAC4 (0.33) EDNRAPOLB
SCHEMBL6637467 0.71 CACNA1D (0.35) CACNA1DMAPT
SCHEMBL6536023 0.68
SCHEMBL6677869 0.67 CACNA1D (0.31) CACNA1D
SCHEMBL23435303 0.66 ALDH1A1 (0.40) EDNRAPOLBCACNA1D
SCHEMBL6677411 0.65 ATM (0.33) EDNRAPOLBCACNA1DMAPT
SCHEMBL6678116 0.65
SCHEMBL6681681 0.64 HDAC4 (0.32)
SCHEMBL6678100 0.64 CACNA1D (0.33) CACNA1D

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