SCHEMBL2866352

SCHEMBL2866352

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.42
CYP19A1 P11511 1/20 0.41
ABCB1 P08183 4/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ELANE P08246 3/20 0.39
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CAPN1 P07384 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
SCHEMBL2867843 0.87 AKR1C3 (0.43) AKR1C3CYP19A1ABCB1GAAMAPT
SCHEMBL27657200 0.86 AKR1C3 (0.48) AKR1C3CYP19A1ABCB1GAAMAPT
SCHEMBL2862151 0.85 AKR1C3 (0.44) AKR1C3CYP19A1ABCB1GAAMAPT
SCHEMBL2864206 0.82 AKR1C3 (0.42) AKR1C3CYP19A1ABCB1GAAMAPT
SCHEMBL27639342 0.82 ALDH1A1 (0.44) ABCB1ALDH1A1
SCHEMBL27677908 0.81 AKR1C3 (0.47) AKR1C3CYP19A1ABCB1GAAMAPT
SCHEMBL6072641 0.81 AKR1C3 (0.50) AKR1C3CYP19A1GAAMAPTELANE
SCHEMBL2865237 0.79 ABCB1 (0.43) AKR1C3CYP19A1ABCB1GAAMAPT
SCHEMBL31676651 0.79 AKR1C3 (0.52) AKR1C3CYP19A1ABCB1GAAMAPT
SCHEMBL19285676 0.78 GAA (0.49) AKR1C3CYP19A1GAAMAPTBCL2

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