SCHEMBL2865401

SCHEMBL2865401

OCCc1ccc(-c2ccccc2)c(CCO)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
BACE1 P56817 3/20 0.46
PDK2 Q15119 1/20 0.44
ALOX5 P09917 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
FOLH1 Q04609 1/20 0.41
CSNK2A1 P68400 2/20 0.41
ACMSD Q8TDX5 1/20 0.41
DPP4 P27487 1/20 0.39
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 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
SCHEMBL19824469 0.87 TDP1 (0.45) TDP1BACE1PDK2ALOX5KDM4E
SCHEMBL2870990 0.85 BACE1 (0.44) TDP1BACE1ALOX5FOLH1CSNK2A1
SCHEMBL19824426 0.79 BACE1 (0.49) TDP1BACE1PDK2ALOX5KDM4E
SCHEMBL6187403 0.79 BACE1 (0.49) TDP1BACE1PDK2ALOX5KDM4E
SCHEMBL3746249 0.79 FFAR1 (0.50) TDP1BACE1ALOX5KDM4EALDH1A1
SCHEMBL429540 0.77 DPP4 (0.58) TDP1BACE1ALDH1A1FOLH1DPP4
SCHEMBL27840283 0.77 DPP4 (0.58) TDP1BACE1ALDH1A1FOLH1DPP4
SCHEMBL15224151 0.77 BACE1 (0.74) TDP1BACE1ALOX5KDM4EALDH1A1
SCHEMBL29584523 0.76 TDP1 (0.54) TDP1PDK2DPP4FFAR1FFAR4
SCHEMBL2865461 0.76 TSHR (0.46) BACE1PDK2ALOX5FOLH1CSNK2A1

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