SCHEMBL7916753

SCHEMBL7916753

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.35
PDE4D Q08499 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 3/20 0.35
CALM1 P0DP23 2/20 0.35
MAPK1 P28482 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 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

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
SCHEMBL7906900 0.90 ALDH1A1 (0.34) PDE4APDE4DPDE4BPDE4CCALM1
SCHEMBL7917107 0.88 ALOX15 (0.43) ALDH1A1CYP3A4MEN1KMT2APOLB
SCHEMBL7916758 0.86 MAPK1 (0.35) PDE4APDE4DPDE4BPDE4CCALM1
SCHEMBL7920298 0.82 ALOX15 (0.40) CALM1LMNAMEN1KMT2APOLB
SCHEMBL7906859 0.76 ALDH1A1 (0.43) PDE4APDE4DPDE4BPDE4CSMN1; SMN2
SCHEMBL7917112 0.75 SLC6A4 (0.39) CYP1A2CYP2D6CYP2C19
SCHEMBL7917083 0.75 ALOX15 (0.43) ALDH1A1CYP3A4MEN1KMT2APOLB
SCHEMBL8602208 0.74 CALM1 (0.43) PDE4APDE4DPDE4BPDE4CCALM1
SCHEMBL7917089 0.74 PTGS2 (0.35) ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL7906887 0.73 TAAR1 (0.45) SMN1; SMN2ALDH1A1CHRM1

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