SCHEMBL2861850

SCHEMBL2861850

O=C(c1ccccc1)c1cc(CO)ccc1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
EGFR P00533 1/20 0.45
ALDH1A1 P00352 2/20 0.45
AKR1C3 P42330 1/20 0.44
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
LTC4S Q16873 1/20 0.42
PTGS1 P23219 2/20 0.42

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
SCHEMBL2859233 0.86 CNR2 (0.47) CNR2EGFRALDH1A1AKR1C3GAA
SCHEMBL27458727 0.83 HNF4A (0.56) CNR2ALDH1A1AKR1C3GAALMNA
SCHEMBL2868203 0.80 CYP4F2 (0.43) ALDH1A1AKR1C3GAAL3MBTL1ATM
SCHEMBL7227588 0.80 EGFR (0.51) EGFRALDH1A1GAAL3MBTL1LMNA
SCHEMBL417620 0.80 AKR1C3 (0.57) ALDH1A1AKR1C3GAAL3MBTL1LMNA
SCHEMBL29898649 0.80 AKR1C3 (0.57) ALDH1A1AKR1C3GAAL3MBTL1LMNA
SCHEMBL12856702 0.79 MEN1 (0.64) CNR2ALDH1A1AKR1C3GAALMNA
SCHEMBL22389564 0.79 PTGS2 (0.55) ALDH1A1AKR1C3MEN1KMT2APTGS1
SCHEMBL27275985 0.79 CNR2 (0.47) CNR2ALDH1A1AKR1C3GAALMNA
SCHEMBL31414970 0.78 AKR1C3 (0.55) ALDH1A1AKR1C3GAAL3MBTL1LMNA

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