SCHEMBL7916869

SCHEMBL7916869

CCO[Si](CCCc1ccc(OC#N)c(OC)c1)(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
CALM1 P0DP23 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
USP2 O75604 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37

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
SCHEMBL7915028 0.89 ATM (0.44) ATMKDM4EPOLBCYP19A1CYP1A2
SCHEMBL27419937 0.88 ATM (0.51) ATMCALM1KDM4EPOLBCYP19A1
SCHEMBL8602208 0.85 CALM1 (0.43) CALM1KDM4EPOLB
SCHEMBL7916764 0.84 HTR2A (0.39) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19297770 0.83 ATM (0.51) ATMKDM4EPOLBCYP19A1CYP1A2
SCHEMBL7914995 0.83 ATM (0.43) ATMKDM4EPOLBCYP19A1CYP1A2
SCHEMBL17780115 0.80 CYP19A1 (0.56) ATMCALM1KDM4EPOLBCYP19A1
SCHEMBL15672358 0.79 ATM (0.54) ATMCALM1KDM4EPOLBCYP19A1
SCHEMBL3037296 0.79 TAAR1 (0.56) CALM1CYP1A2CYP3A4
SCHEMBL7920307 0.78 TSHR (0.33) 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 4 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-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