SCHEMBL7915040

SCHEMBL7915040

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
TUBB4A P04350 3/20 0.38
TUBB P07437 3/20 0.38
TUBA3C P0DPH7 3/20 0.38
TUBA1B P68363 3/20 0.38
TUBA4A P68366 3/20 0.38
TUBB4B P68371 3/20 0.38
TUBB3 Q13509 3/20 0.38
TUBB2A Q13885 3/20 0.38
TUBB8 Q3ZCM7 3/20 0.38
TUBA3E Q6PEY2 3/20 0.38
TUBA1A Q71U36 3/20 0.38
TUBA1C Q9BQE3 3/20 0.38
TUBB6 Q9BUF5 3/20 0.38
TUBB2B Q9BVA1 3/20 0.38
TUBB1 Q9H4B7 3/20 0.38
AOC3 Q16853 2/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL7917001 0.87 HTR2A (0.40) HTR2AHTR2CHTR2BTUBB4ATUBB
SCHEMBL7914995 0.83 ATM (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7916764 0.82 HTR2A (0.39) HTR2AHTR2CHTR2BTUBB4ATUBB
SCHEMBL14048547 0.74 PTGS2 (0.64) HTR2AHTR2CHTR2BTUBB4ATUBB
SCHEMBL7917093 0.73 PTGS2 (0.35) HTR2AHTR2CHTR2BPTGS2
SCHEMBL5486749 0.73 ATM (0.56) AOC3CYP19A1KMT2A
SCHEMBL8605606 0.72 GAA (0.40) MEN1KMT2ATSHR
SCHEMBL10577198 0.71 PTGS2 (0.46) CYP19A1PTGS2
SCHEMBL7914886 0.70 CALM1 (0.33)
SCHEMBL7915028 0.70 ATM (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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