SCHEMBL2861278

SCHEMBL2861278

CCc1cc(C(=O)c2ccccc2)c(O)c(CC)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.53
MCL1 Q07820 3/20 0.53
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
MAPT P10636 3/20 0.43
MAPK1 P28482 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 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
SCHEMBL2862470 0.84 HPGD (0.49) BCL2MCL1MEN1USP2GAA
SCHEMBL2855431 0.83 PPARG (0.46) BCL2MCL1MEN1USP2GAA
SCHEMBL2868200 0.82 BCL2 (0.54) BCL2MCL1MEN1USP2GAA
SCHEMBL28132998 0.82 BCL2 (0.54) BCL2MCL1MEN1USP2GAA
SCHEMBL2866678 0.82 MEN1 (0.53) BCL2MCL1MEN1USP2GAA
SCHEMBL2855392 0.81 BCL2 (0.43) BCL2MCL1MEN1USP2GAA
SCHEMBL27414170 0.80 PTGS1 (0.45) BCL2MCL1MEN1USP2GAA
SCHEMBL5698161 0.80 BCL2 (0.58) BCL2MCL1MEN1USP2GAA
SCHEMBL5672203 0.79 BCL2 (0.53) BCL2MCL1MEN1USP2GAA
SCHEMBL1446427 0.79 BCL2 (0.50) BCL2MCL1MEN1USP2GAA

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