SCHEMBL2867843

SCHEMBL2867843

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ELANE P08246 1/20 0.42
CYP19A1 P11511 1/20 0.42
ABCB1 P08183 4/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 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
SCHEMBL27657200 0.87 AKR1C3 (0.48) AKR1C3L3MBTL1ELANECYP19A1ABCB1
SCHEMBL2865237 0.87 ABCB1 (0.43) AKR1C3L3MBTL1CYP19A1ABCB1GAA
SCHEMBL2866352 0.87 AKR1C3 (0.42) AKR1C3L3MBTL1ELANECYP19A1ABCB1
SCHEMBL28524030 0.86 FOLH1 (0.47) GAAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL27677908 0.83 AKR1C3 (0.47) AKR1C3L3MBTL1CYP19A1ABCB1GAA
SCHEMBL6072641 0.82 AKR1C3 (0.50) AKR1C3L3MBTL1ELANECYP19A1GAA
SCHEMBL3070363 0.81 ALDH1A1 (0.42) AKR1C3ELANECYP19A1ABCB1GAA
SCHEMBL31676651 0.80 AKR1C3 (0.52) AKR1C3L3MBTL1CYP19A1ABCB1GAA
SCHEMBL2862151 0.80 AKR1C3 (0.44) AKR1C3L3MBTL1CYP19A1ABCB1GAA
SCHEMBL19285676 0.80 GAA (0.49) AKR1C3L3MBTL1CYP19A1GAAMAPT

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