SCHEMBL2860952

SCHEMBL2860952

Oc1ccc(-c2ccccc2)c(CCc2cc(O)ccc2-c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.63
ESR2 Q92731 5/20 0.57
BACE1 P56817 2/20 0.48
CYP26A1 O43174 1/20 0.46
TYR P14679 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MMP3 P08254 1/20 0.44
BCL2L1 Q07817 1/20 0.44
ESR1 P03372 6/20 0.44
PELI1 Q96FA3 1/20 0.42
DPP4 P27487 1/20 0.42
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL10598993 0.93 ALOX5 (0.55) ALOX5ESR2BACE1CYP26A1TYR
SCHEMBL2863552 0.89 ALOX5 (0.65) ALOX5ESR2BACE1CYP26A1HSP90AA1
SCHEMBL28600186 0.89 ALOX5 (0.55) ALOX5ESR2BACE1CYP26A1TYR
SCHEMBL3628752 0.88 ALOX5 (0.63) ALOX5ESR2BACE1CYP26A1HSP90AA1
SCHEMBL9252069 0.87 ALOX5 (0.48) ALOX5ESR2MMP3BCL2L1ESR1
SCHEMBL1765204 0.86 TYR (0.54) ALOX5ESR2BACE1CYP26A1TYR
SCHEMBL11052801 0.84 ALOX5 (0.50) ALOX5ESR2BACE1CYP26A1TYR
SCHEMBL27678594 0.84 ALOX5 (0.59) ALOX5ESR2BACE1CYP26A1HSP90AA1
SCHEMBL1071089 0.84 ALOX5 (0.61) ALOX5ESR2BACE1CYP26A1BCL2L1
SCHEMBL1292805 0.84 ALOX5 (0.59) ALOX5ESR2BACE1CYP26A1HSP90AA1

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