SCHEMBL2865553

SCHEMBL2865553

CCOc1cccc(OOc2ccccc2)c1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LTA4H P09960 1/20 0.43
L3MBTL1 Q9Y468 7/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GLA P06280 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.39
ALOX15 P16050 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
AOC3 Q16853 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL27957736 0.86 LTA4H (0.55) ALDH1A1LTA4HL3MBTL1MAPTNPSR1
SCHEMBL28002827 0.83 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL2856387 0.79 TP53 (0.38) ALDH1A1MAPTNPSR1ALOX15TP53
SCHEMBL22427926 0.76 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL2862519 0.76 KMT2A (0.43) LTA4HCYP1A2CYP2C19
SCHEMBL25714252 0.75 DPP4 (0.53) ALDH1A1LTA4HL3MBTL1NPSR1POLB
SCHEMBL2867966 0.74 LTA4H (0.47) ALDH1A1LTA4HL3MBTL1MAPTCYP1A2
SCHEMBL22427763 0.73 GABRA1 (0.48) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL16954859 0.72 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL3934756 0.71 AOC3 (0.61) ALDH1A1L3MBTL1MAPTNPSR1GLA

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