SCHEMBL842610

SCHEMBL842610

CCCc1sccc1-c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 10/20 0.55
CYP3A4 P08684 8/20 0.47
CYP2C9 P11712 6/20 0.47
CYP2B6 P20813 5/20 0.47
CYP2E1 P05181 4/20 0.47
CYP2C19 P33261 4/20 0.47
CYP2D6 P10635 4/20 0.47
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP19A1 P11511 1/20 0.41
HDAC2 Q92769 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
PPARA Q07869 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL842669 0.80 MAPK14 (0.44) CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL27816699 0.80 BCAT2 (0.41) CYP2A6CYP2B6
SCHEMBL27853201 0.77 CYP2A6 (0.54) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL29061722 0.75 CYP2A6 (0.55) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL28139912 0.75 CYP2A6 (0.64) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL24318549 0.73 CYP2A6 (0.66) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL13818792 0.72 KCNA5 (0.56) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL17967477 0.72 DYRK1A (0.58) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL13035349 0.71 CYP2A6 (1.00) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL18569063 0.70 MAPT (0.57) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143456-B2 Method of reducing methanol in recycle streams in bisphenol-A production process DOW GLOBAL TECHNOLOGIES LLC (US) 2012-03-27 US disclosed
US-20110137087-A1 METHOD OF REDUCING METHANOL IN RECYCLE STREAMS IN BISPHENOL-A PRODUCTION PROCESS BLUE CUBE IP LLC 2011-06-09 US disclosed
EP-2158040-B1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES INC (US) 2011-02-16 EP disclosed
EP-2197824-A2 METHOD OF REDUCING METHANOL IN RECYCLE STREAMS IN BISPHENOL-A-PRODUCTION PROCESS Dow Global Technologies Inc. (US) 2010-06-23 EP disclosed
EP-2158040-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION Dow Global Technologies Inc. (US) 2010-03-03 EP disclosed
WO-2009032552-A2 METHOD OF REDUCING METHANOL IN RECYCLE STREAMS IN BISPHENOL-A-PRODUCTION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-03-12 WO disclosed
WO-2008157025-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES INC. (US) 2008-12-24 WO disclosed