SCHEMBL7917066

SCHEMBL7917066

CCO[Si](OCC)(OCC)C(C)Cc1cc(OC)c(OC#N)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
POLB P06746 1/20 0.32
FOS P01100 1/20 0.31
TTR P02766 1/20 0.31
JUN P05412 1/20 0.31
NR3C1 P04150 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 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 0.87 PTGS2 (0.35) PTGS2HTR2AHTR2CHTR2BFOS
SCHEMBL7920298 0.84 ALOX15 (0.40) POLBFOSTTRJUNNR3C1
SCHEMBL7917093 0.82 PTGS2 (0.35) PTGS2HTR2AHTR2CHTR2BPOLB
SCHEMBL7906900 0.76 ALDH1A1 (0.34) POLB
SCHEMBL7913962 0.74 ACACB (0.34)
SCHEMBL14048547 0.74 PTGS2 (0.64) PTGS2HTR2AHTR2CHTR2B
SCHEMBL7916764 0.73 HTR2A (0.39) PTGS2HTR2AHTR2CHTR2B
SCHEMBL8603014 0.73 TAAR1 (0.40)
SCHEMBL7917107 0.71 ALOX15 (0.43) POLBFOSTTRJUNNR3C1
SCHEMBL7906949 0.69 ADRA2A (0.32)

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