SCHEMBL2860152

SCHEMBL2860152

Cc1ccccc1-c1ccc(O)c(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
ATM Q13315 2/20 0.46
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
MAPT P10636 7/20 0.44
MCL1 Q07820 2/20 0.42
LMNA P02545 4/20 0.41
KDM4E B2RXH2 2/20 0.41
CNR1 P21554 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 5/20 0.41
HSD17B10 Q99714 2/20 0.41
ELANE P08246 1/20 0.39
HPGD P15428 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38

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
SCHEMBL1513628 0.85 ATM (0.48) TRPA1ATMMEN1KMT2AMAPT
SCHEMBL2870993 0.85 TRPA1 (0.48) TRPA1ATMMEN1KMT2AMAPT
SCHEMBL11802995 0.84 ESR1 (0.46) TRPA1ATMMEN1KMT2AMAPT
SCHEMBL11253410 0.80 MCL1 (0.40) TRPA1ATMMEN1KMT2AMAPT
SCHEMBL1005238 0.80 ALDH1A1 (0.57) TRPA1ATMKMT2AMCL1KDM4E
SCHEMBL673889 0.78 ATM (0.62) TRPA1ATMMEN1KMT2AMAPT
SCHEMBL5587775 0.78 TRPA1 (0.62) TRPA1ATMMEN1KMT2AMAPT
SCHEMBL30238150 0.78 TRPA1 (0.62) TRPA1ATMMEN1KMT2AMAPT
SCHEMBL673891 0.78 ALDH1A1 (0.62) TRPA1ATMKMT2AMCL1KDM4E
SCHEMBL1513802 0.77 ATM (0.41) TRPA1ATMMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713449-B2 Polymer electrolytic material, polymer electrolytic part, membrane electrode assembly, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2010-05-11 US disclosed
US-20060180796-A1 Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES, INC. (JP) 2006-08-17 US disclosed
EP-1619735-A1 POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE PART, MEMBRANE ELECTRODE COMPOSITE AND POLYMER ELECTROLYTE TYPE FUEL CELL TORAY INDUSTRIES, INC. (JP) 2006-01-25 EP disclosed