SCHEMBL2865237

SCHEMBL2865237

CCC(O)CC(O)Cc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.43
PPARG P37231 4/20 0.43
AKR1C3 P42330 1/20 0.42
CYP19A1 P11511 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL2867843 0.87 AKR1C3 (0.43) ABCB1AKR1C3CYP19A1GAAALDH1A1
SCHEMBL3070363 0.82 ALDH1A1 (0.42) ABCB1AKR1C3CYP19A1GAAALDH1A1
SCHEMBL27677908 0.81 AKR1C3 (0.47) ABCB1AKR1C3CYP19A1GAAALDH1A1
SCHEMBL27657200 0.80 AKR1C3 (0.48) ABCB1AKR1C3CYP19A1GAAALDH1A1
SCHEMBL2866352 0.79 AKR1C3 (0.42) ABCB1AKR1C3CYP19A1GAAALDH1A1
SCHEMBL31676651 0.79 AKR1C3 (0.52) ABCB1AKR1C3CYP19A1GAAALDH1A1
SCHEMBL27639342 0.79 ALDH1A1 (0.44) ABCB1ALDH1A1
SCHEMBL2862151 0.79 AKR1C3 (0.44) ABCB1AKR1C3CYP19A1GAAALDH1A1
SCHEMBL6072641 0.78 AKR1C3 (0.50) AKR1C3CYP19A1GAAALDH1A1MAPT
SCHEMBL2855480 0.77 MEN1 (0.49) ABCB1GAAALDH1A1LMNAMAPT

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