SCHEMBL7906949

SCHEMBL7906949

CCO[Si](OCC)(OCC)C(C)Cc1ccccc1OC#N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HTR1A P08908 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL7916766 0.85 KMT2A (0.34) TSHRKMT2ASLC6A2SLC6A4KDM4E
SCHEMBL7917098 0.83 TAAR1 (0.30)
SCHEMBL8601635 0.81 KMT2A (0.32) KMT2ASLC6A2SLC6A4KDM4EGAA
SCHEMBL19824384 0.78 KMT2A (0.36) TSHRKMT2ASLC6A2SLC6A4KDM4E
SCHEMBL7917080 0.77 ADRA2A (0.33) ADRA2AADRA2BADRA2CMAPTNPSR1
SCHEMBL7915021 0.75 ADRA2A (0.32) ADRA2AADRA2BADRA2CTSHRMAPT
SCHEMBL7906863 0.74 TAAR1 (0.33) ADRA2AADRA2BADRA2CTSHRMAPT
SCHEMBL7913962 0.74 ACACB (0.34) SLC6A4
SCHEMBL7920298 0.73 ALOX15 (0.40) KMT2AKDM4E
SCHEMBL7906900 0.73 ALDH1A1 (0.34) ADRA2ATSHRMAPTKMT2AKDM4E

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