SCHEMBL2697663

SCHEMBL2697663

CCCCCCc1ccc2c(O)cccc2c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.57
ELANE P08246 3/20 0.53
CTSG P08311 3/20 0.53
BID P55957 3/20 0.51
MCL1 Q07820 3/20 0.51
BCL2L1 Q07817 2/20 0.51
BAK1 Q16611 2/20 0.51
KAT8 Q9H7Z6 2/20 0.51
SAE1 Q9UBE0 2/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
EP300 Q09472 1/20 0.51
KAT2A Q92830 1/20 0.51
KAT2B Q92831 1/20 0.51
KAT5 Q92993 1/20 0.51
MAPT P10636 3/20 0.50
ALOX5 P09917 2/20 0.50
ALOX15 P16050 2/20 0.50
CYP3A4 P08684 2/20 0.50
PTGS2 P35354 1/20 0.50

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
SCHEMBL12098169 0.88 TYR (0.65) TYRELANECTSGBIDMCL1
SCHEMBL11116707 0.85 BID (0.59) TYRELANECTSGBIDMCL1
SCHEMBL9868343 0.84 TYR (0.50) TYRELANECTSGBIDMCL1
SCHEMBL7721087 0.81 TYR (0.57) TYRBIDMCL1BCL2L1BAK1
SCHEMBL27994392 0.81 TYR (0.57) TYRBIDMCL1BCL2L1BAK1
SCHEMBL11724971 0.81 TYR (0.57) TYRBIDMCL1BCL2L1BAK1
SCHEMBL28386803 0.81 TYR (0.57) TYRBIDMCL1BCL2L1BAK1
SCHEMBL7569666 0.81 TYR (0.57) TYRBIDMCL1BCL2L1BAK1
SCHEMBL6471772 0.81 BID (0.63) TYRELANECTSGBIDMCL1
SCHEMBL11684136 0.81 BID (0.63) TYRELANECTSGBIDMCL1

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