SCHEMBL7917093

SCHEMBL7917093

COc1cc(CC(C)[Si](Cl)(Cl)Cl)cc(OC)c1OC#N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
GAA P10253 1/20 0.33
FOS P01100 1/20 0.33
TTR P02766 1/20 0.33
JUN P05412 1/20 0.33
NR3C1 P04150 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL7917089 0.85 PTGS2 (0.35) PTGS2GAAFOSTTRJUN
SCHEMBL7917083 0.83 ALOX15 (0.43) FOSTTRJUNNR3C1HSD17B1
SCHEMBL7917066 0.82 PTGS2 (0.36) PTGS2FOSTTRJUNNR3C1
SCHEMBL14048547 0.74 PTGS2 (0.64) PTGS2HTR2AHTR2CHTR2B
SCHEMBL7915040 0.73 HTR2A (0.39) PTGS2HTR2AHTR2CHTR2B
SCHEMBL7916758 0.72 MAPK1 (0.35) GAAKDM4EALDH1A1L3MBTL1POLB
SCHEMBL7917072 0.72 SLC6A4 (0.36)
SCHEMBL7914532 0.71 TAAR1 (0.43)
SCHEMBL7917001 0.69 HTR2A (0.40) PTGS2HTR2AHTR2CHTR2B
SCHEMBL7917107 0.69 ALOX15 (0.43) FOSTTRJUNNR3C1HSD17B1

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