SCHEMBL7920296

SCHEMBL7920296

CCO[Si](OCC)(OCC)C(C)COc1ccc(-c2ccc(OC#N)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.39
MMP3 P08254 1/20 0.39
ALDH1A1 P00352 7/20 0.37
HPGD P15428 6/20 0.37
KDM4E B2RXH2 7/20 0.36
AAK1 Q2M2I8 3/20 0.36
MAPT P10636 3/20 0.36
CYP3A4 P08684 2/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL7913929 0.86 ALDH1A1 (0.40) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL7914185 0.81 MMP2 (0.41) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL7913962 0.78 ACACB (0.34)
SCHEMBL7906938 0.75 PBRM1 (0.32)
SCHEMBL7916849 0.73 CYP2D6 (0.43) ALDH1A1HPGDKDM4EMAPTCYP3A4
SCHEMBL7915016 0.71 PBRM1 (0.31)
SCHEMBL184515 0.69 MMP2 (0.34) MMP2MMP3ALDH1A1HPGDNPC1
SCHEMBL8603014 0.69 TAAR1 (0.40)
SCHEMBL13589086 0.67 LTA4H (0.59) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL7917060 0.66 KDM4E (0.35) ALDH1A1KDM4ETSHRCYP2D6

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