SCHEMBL2865548

SCHEMBL2865548

CCc1cccc(Oc2c(O)cccc2O)c1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
IAPP P10997 4/20 0.40
LMNA P02545 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 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
SCHEMBL1842187 0.93 GABRA1 (0.42) GABRA1GABRB2IAPPLMNAALOX15
SCHEMBL2856382 0.87 GABRA1 (0.47) GABRA1GABRB2IAPPLMNAALOX15
SCHEMBL1840146 0.87 GABRA1 (0.40) GABRA1GABRB2IAPPALOX5PTGS2
SCHEMBL31094032 0.87 GABRA1 (0.40) GABRA1GABRB2IAPPALOX5PTGS2
SCHEMBL982055 0.86 GABRA1 (0.45) GABRA1GABRB2LMNAALOX15MAPT
SCHEMBL1835527 0.83 GABRA1 (0.36) GABRA1GABRB2IAPPLMNAALOX15
SCHEMBL10916615 0.82 GABRA1 (0.46) GABRA1GABRB2MAPTKDM4EHPGD
SCHEMBL29259891 0.81 LMNA (0.44) LMNAALOX15MAPTTP53KDM4E
SCHEMBL1837506 0.81 GABRA1 (0.44) GABRA1GABRB2IAPPLMNAALOX15
SCHEMBL2862516 0.79 LTB4R (0.41) IAPPALOX5PTGS2

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-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
CN-100364160-C Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES (JP) 2008-01-23 CN 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