SCHEMBL7906900

SCHEMBL7906900

CCOc1cc(CC(C)[Si](OCC)(OCC)OCC)ccc1OC#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
MAPK1 P28482 3/20 0.34
LMNA P02545 3/20 0.34
PDE4A P27815 3/20 0.34
CYP3A4 P08684 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL7916753 0.90 PDE4A (0.35) ALDH1A1MAPK1LMNAPDE4ACYP3A4
SCHEMBL7920298 0.90 ALOX15 (0.40) LMNAPOLBMEN1KMT2AHTT
SCHEMBL7916758 0.86 MAPK1 (0.35) ALDH1A1MAPK1LMNAPDE4ACYP3A4
SCHEMBL7913962 0.78 ACACB (0.34)
SCHEMBL7917107 0.77 ALOX15 (0.43) ALDH1A1CYP3A4POLBMEN1KMT2A
SCHEMBL7917066 0.76 PTGS2 (0.36) POLB
SCHEMBL7915129 0.76 ALDH1A1 (0.40) ALDH1A1LMNAPDE4ASMN1; SMN2MEN1
SCHEMBL8603014 0.76 TAAR1 (0.40)
SCHEMBL7906949 0.73 ADRA2A (0.32) ADRA2ATSHRKMT2AMAPTGAA
SCHEMBL7917083 0.72 ALOX15 (0.43) ALDH1A1CYP3A4POLBMEN1KMT2A

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