SCHEMBL7906863

SCHEMBL7906863

CCO[Si](CCc1ccccc1OC#N)(OCC)OCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
AR P10275 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR1A P08908 2/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
AOC3 Q16853 1/20 0.30
TSHR P16473 1/20 0.30
NISCH Q9Y2I1 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
SCHEMBL7913941 0.91 THRA (0.32) TAAR1ARMAPTNPSR1L3MBTL1
SCHEMBL7906930 0.84 TAAR1 (0.42) TAAR1MTNR1AMTNR1BCYP11B1CYP11B2
SCHEMBL1972956 0.81 TAAR1 (0.53) TAAR1MTNR1AMTNR1BSIGMAR1AOC3
SCHEMBL307120 0.80 CYP4F2 (0.37) TAAR1MAPTNPSR1L3MBTL1ADRA2A
SCHEMBL17060529 0.79 AR (0.46) TAAR1ARHTR1AADRA2AADRA2B
SCHEMBL233930 0.78 ALDH1A1 (0.36)
SCHEMBL27668716 0.78 HTR1A (0.42) TAAR1HTR1ASLC6A4CYP11B1CYP11B2
SCHEMBL7917068 0.78 TAAR1 (0.33) TAAR1HTR1AMTNR1AMTNR1BCYP11B1
SCHEMBL7914933 0.76 TAAR1 (0.40) TAAR1MTNR1AMTNR1BCYP11B1CYP11B2
SCHEMBL27716415 0.76 THRA (0.43) TAAR1AR

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