SCHEMBL2697200

SCHEMBL2697200

CCCCCCCCc1c(O)ccc2cc(O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
TYR P14679 3/20 0.53
TP53 P04637 2/20 0.53
MAPT P10636 2/20 0.53
ALOX5 P09917 2/20 0.53
MEN1 O00255 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ESR1 P03372 3/20 0.46
PTGS2 P35354 3/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL15789462 0.94 TYR (0.50) CYP3A4TYRTP53MAPTALOX5
SCHEMBL2045088 0.89 TYR (0.64) CYP3A4TYRTP53MAPTALOX5
SCHEMBL2046834 0.89 TYR (0.64) CYP3A4TYRTP53MAPTALOX5
SCHEMBL15789452 0.87 HSD17B3 (0.44) CYP3A4TYRTP53MAPTALOX5
SCHEMBL2050274 0.83 TYR (0.62) CYP3A4TYRTP53MAPTALOX5
SCHEMBL4945605 0.81 PPARA (0.51) CYP3A4TYRTP53MAPTALOX5
SCHEMBL15789381 0.81 ESR1 (0.45) MAPTMEN1KMT2ATDP1ESR1
SCHEMBL6832911 0.81 HSD17B10 (0.58) TYRMAPTMEN1KMT2ATDP1
SCHEMBL11493047 0.81 HSD17B10 (0.58) TYRMAPTMEN1KMT2ATDP1
SCHEMBL9493799 0.81 HSD17B10 (0.58) TYRMAPTMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107725-A1 Solid Polymer Electrolyte Composition, and Ion-Exchange Membrane, Membrane Electrode Assembly and Fuel Cell TOYO BOSEKI KABUSHIKI KAISHA (JP) 2012-05-03 US disclosed
EP-2447953-A1 SOLID POLYMER ELECTROLYTE COMPOSITION, ION-EXCHANGE MEMBRANE, MEMBRANE ELECTRODE ASSEMBLY, AND FUEL CELL Toyo Boseki Kabushiki Kaisha (JP) 2012-05-02 EP disclosed