SCHEMBL7916822

SCHEMBL7916822

CCC(c1ccc(OC#N)c(OC)c1)[Si](Cl)(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
ALDH1A1 P00352 9/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 3/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CYP1A2 P05177 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL7920309 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7916756 0.86 PDE4A (0.39) ACHEALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL7913939 0.83 ALDH1A1 (0.39) ACHEALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL7906826 0.77 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL7915046 0.75 AOC3 (0.33) ACHEALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL7906859 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7917083 0.73 ALOX15 (0.43) ALDH1A1MEN1KMT2AATMPPARG
SCHEMBL9348273 0.73 SLC6A4 (0.48) ALDH1A1MEN1KMT2ALMNAPDE4A
SCHEMBL7915129 0.72 ALDH1A1 (0.40) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7916958 0.72 PKM (0.30)

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