SCHEMBL7916771

SCHEMBL7916771

CCC(c1ccc(OC#N)cc1)[Si](OC)(OC)OC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.35
MIF P14174 1/20 0.33
CYP17A1 P05093 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 3/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 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
SCHEMBL7915016 0.86 PBRM1 (0.31) PBRM1ESR1ESR2
SCHEMBL17442501 0.82 CYP17A1 (0.34) MIFCYP17A1ESR1LMNA
SCHEMBL7906826 0.82 ALDH1A1 (0.32) MIFCYP17A1ALDH1A1GAALMNA
SCHEMBL7915126 0.82 AOC3 (0.34) PBRM1ALDH1A1
SCHEMBL7916756 0.79 PDE4A (0.39) ALDH1A1LMNA
SCHEMBL7916894 0.78 PBRM1 (0.34) PBRM1ESR1ESR2ALDH1A1GAA
SCHEMBL7906859 0.77 ALDH1A1 (0.43) ALDH1A1LMNA
SCHEMBL5072879 0.75 CYP17A1 (0.45) PBRM1MIFCYP17A1ESR1ESR2
SCHEMBL5361409 0.75 ALDH1A1 (0.38) CYP17A1ALDH1A1LMNA
SCHEMBL17888500 0.74 ESR1 (0.50) CYP17A1ESR1ESR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6217943-B1 ADHESION AND REINFORCEMENT WITH SILANE CYANATE COUPLERS 3M INNOVATIVE PROPERTIES COMPANY 2001-04-17 US disclosed
US-5912377-A CONTAINING AT LEAST ONE CYANATE ESTER GROUP AND HYDROLYZABLE SILYL GROUP; REINFORCED COMPOSITES, ADESIVES, COATINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-06-15 US disclosed
EP-0830410-B1 AROMATIC CYANATE ESTER SILANE COUPLING AGENTS MINNESOTA MINING & MFG (US) 1999-04-07 EP disclosed
EP-0830410-A1 AROMATIC CYANATE ESTER SILANE COUPLING AGENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-25 EP disclosed
WO-1996039457-A1 AROMATIC CYANATE ESTER SILANE COUPLING AGENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-12-12 WO disclosed