SCHEMBL822489

SCHEMBL822489

CCC1=Nc2cc3cc(C)[nH]c3cc2C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.33
KEAP1 Q14145 1/20 0.33
AXL P30530 1/20 0.32
MAPT P10636 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
SCHEMBL10039066 0.82 CYP2A6 (0.38) CYP2A6KEAP1AXL
SCHEMBL13788748 0.78 CYP2A6 (0.37) CYP2A6KEAP1AXL
SCHEMBL822344 0.74
SCHEMBL22085081 0.67 SHMT2 (0.33) MAPT
SCHEMBL23920265 0.67 PDE3B (0.38) MAPT
SCHEMBL12123168 0.65 CYP2A6 (0.56) CYP2A6KEAP1AXLMAPT
SCHEMBL13072465 0.64 CYP2A6 (0.42) CYP2A6KEAP1AXLMAPT
SCHEMBL22087332 0.64 GAA (0.35)
SCHEMBL22085096 0.64 SCN10A (0.34) MAPT
SCHEMBL4430051 0.63 CYP2A6 (0.54) CYP2A6KEAP1AXLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269857-A1 POLYMER AND METHOD OF PREPARING THE SAME INDUSTRY-UNIVERSITY COOPERATION FOUNDATION, HANYANG UNIVERSITY (KR) 2011-11-03 US disclosed
US-8013103-B2 Polymer compounds and a preparation method thereof INDUSTRY-UNIVERSITY COOPERATION FOUNDATION, HANYANG UNIVERSITY (KR) 2011-09-06 US disclosed
US-20100099804-A1 POLYMER COMPOUNDS AND A PREPARATION METHOD THEREOF INDUSTRY-UNIVERSITY COOPERATION FOUNDATION, HANYANG UNIVERSITY (KR) 2010-04-22 US disclosed
US-20090297850-A1 HOLLOW FIBER, DOPE COMPOSITION FOR FORMING HOLLOW FIBER, AND METHOD OF MAKING HOLLOW FIBER USING THE SAME IUCF-HYU(INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2009-12-03 US disclosed