SCHEMBL7521667

SCHEMBL7521667

Cc1cccc([SiH2]COc2cc(C)c(O)c(C)c2C)c1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.38
TRPA1 O75762 2/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTR1B P28222 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL7521710 0.83 TRPA1 (0.37) TRPA1ATMALDH1A1HTR1BKDM4E
SCHEMBL8387017 0.82 ALDH1A1 (0.38) ALOX5TRPA1ATMALDH1A1HTR1B
SCHEMBL8377921 0.81 TRPA1 (0.42) TRPA1ATMALDH1A1HTR1BKDM4E
SCHEMBL8444610 0.79 GAA (0.43) TRPA1ATMALDH1A1HTR1BGAA
SCHEMBL7518276 0.77 TRPA1 (0.37) TRPA1ATMALDH1A1KDM4EGAA
SCHEMBL7517858 0.75 ALOX15 (0.43) TRPA1ATMALDH1A1KDM4EGAA
SCHEMBL7519263 0.74 SCN2A (0.43) TRPA1ATMALDH1A1GAAMEN1
SCHEMBL7517733 0.72 TRPA1 (0.34) TRPA1ATMALDH1A1GAAMAPT
SCHEMBL7515890 0.69 ALDH1A1 (0.41) TRPA1ATMALDH1A1GAAMAPT
SCHEMBL11316118 0.69 TRPA1 (0.35) TRPA1ATMALDH1A1HTR1BGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900225-B1 ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS AVENTIS PHARMA INC (US) 2002-01-30 EP claimed