SCHEMBL7917080

SCHEMBL7917080

CCO[Si](OCC)(OCC)C(C)c1ccccc1OC#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NISCH Q9Y2I1 2/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
BRCA1 P38398 1/20 0.31
HBB P68871 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL7915021 0.87 ADRA2A (0.32) ADRA2AADRA2BADRA2CPKMALDH1A1
SCHEMBL7906970 0.83 ALDH1A1 (0.33) ALDH1A1NISCH
SCHEMBL28332142 0.82 CA1 (0.41) ADRA2AADRA2BADRA2CALDH1A1SMN1; SMN2
SCHEMBL562866 0.80 TSHR (0.38) ADRA2AADRA2BADRA2CALDH1A1NISCH
Benzene SCHEMBL28228273 0.78 TSHR (0.36) ADRA2AADRA2BADRA2CALDH1A1NISCH
SCHEMBL7920316 0.78 ALDH1A1 (0.31) ALDH1A1NISCHLMNACYP1A2CYP2C9
SCHEMBL2763038 0.77 ADRA2A (0.33) ADRA2AADRA2BADRA2CALDH1A1NISCH
SCHEMBL7906949 0.77 ADRA2A (0.32) ADRA2AADRA2BADRA2CKMT2AGAA
SCHEMBL7916891 0.76 TSHR (0.32) ALDH1A1NISCHSMN1; SMN2KDM4E
SCHEMBL1789840 0.75 AR (0.34) ALDH1A1GAASMN1; SMN2LMNACYP1A2

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