SCHEMBL7920307

SCHEMBL7920307

CCO[Si](CCCc1ccc(OC#N)cc1)(OCC)OCC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CALM1 P0DP23 1/20 0.33
THRB P10828 2/20 0.32
THRA P10827 1/20 0.32
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX5 P09917 1/20 0.31
ACACB O00763 2/20 0.31
GLA P06280 1/20 0.30
KMT2A Q03164 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
SCHEMBL7914003 0.91 ACACB (0.32) MAPTACACBGLAKMT2A
SCHEMBL7917007 0.84 CALM1 (0.41) CALM1L3MBTL1ALOX5
SCHEMBL17442492 0.83 ALDH1A1 (0.36) HSD17B10CALM1
SCHEMBL7913967 0.83 MTNR1A (0.38)
SCHEMBL14226972 0.81 NQO1 (0.48) TSHRMAPTRAB9AL3MBTL1ACACB
SCHEMBL14226969 0.81 CALM1 (0.51) CALM1ALOX5GLAKMT2A
SCHEMBL7916849 0.79 CYP2D6 (0.43) TSHRHSD17B10MAPTRAB9AL3MBTL1
SCHEMBL12864617 0.79 HSD17B10 (0.46) TSHRHSD17B10THRBTHRAMAPT
SCHEMBL25293615 0.78 ALDH1A1 (0.39) HSD17B10MAPTRAB9AL3MBTL1KMT2A
SCHEMBL7916869 0.78 ATM (0.40) CALM1MAPTRAB9AKMT2A

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