SCHEMBL2865404

SCHEMBL2865404

OCCc1ccccc1-c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.50
ABCB1 P08183 2/20 0.50
BCR P11274 2/20 0.50
CA2 P00918 1/20 0.46
ESR2 Q92731 3/20 0.46
MMP3 P08254 1/20 0.44
BCL2L1 Q07817 1/20 0.44
DPP4 P27487 1/20 0.42
ESR1 P03372 3/20 0.40
KMT2A Q03164 1/20 0.40
PTGER1 P34995 2/20 0.40
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
KEAP1 Q14145 1/20 0.39
FOLH1 Q04609 1/20 0.39
MMP9 P14780 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN1 P18031 1/20 0.38
BACE1 P56817 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
SCHEMBL28638330 0.91 ABL1 (0.54) ABL1ABCB1BCRESR2MMP3
SCHEMBL27840283 0.85 DPP4 (0.58) CA2BCL2L1DPP4KMT2APTGER1
SCHEMBL429540 0.85 DPP4 (0.58) CA2BCL2L1DPP4KMT2APTGER1
SCHEMBL10456914 0.84 ESR2 (0.54) ABL1ABCB1BCRCA2ESR2
SCHEMBL4383694 0.84 PPARA (0.49) ABL1ABCB1BCRESR2MMP3
SCHEMBL29584523 0.83 TDP1 (0.54) CA2DPP4PTGER1PTGER4PTGER3
SCHEMBL28332553 0.83 TDP1 (0.54) CA2DPP4PTGER1PTGER4PTGER3
SCHEMBL3628757 0.83 ABL1 (0.54) ABL1ABCB1BCRESR2MMP3
SCHEMBL10609360 0.83 DPP4 (0.50) CA2BCL2L1DPP4KMT2APTGER1
SCHEMBL3746992 0.82 CYP2C19 (0.50) DPP4KMT2APTGER1PTGER4PTGER3

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 4 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
CN-100364160-C Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES (JP) 2008-01-23 CN 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