SCHEMBL2870992

SCHEMBL2870992

CC(O)Cc1ccccc1-c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
ABL1 P00519 2/20 0.44
ABCB1 P08183 2/20 0.44
BCR P11274 2/20 0.44
ESR2 Q92731 1/20 0.41
MMP3 P08254 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
PTPN1 P18031 1/20 0.38
BACE1 P56817 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
KCNA5 P22460 1/20 0.37
KCNH2 Q12809 1/20 0.37
DPP4 P27487 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
SCHEMBL4375768 0.93 KMT2A (0.53) KMT2AMMEACECPA1ACE2
SCHEMBL8492143 0.87 GABRA1 (0.52) KMT2AABL1ABCB1BCRESR2
SCHEMBL5272384 0.87 KMT2A (0.61) KMT2ABCL2L1MMEACECPA1
SCHEMBL1338716 0.86 KMT2A (0.47) KMT2AMMEACECPA1ACE2
SCHEMBL7723812 0.83 ESR2 (0.53) KMT2AABL1ABCB1BCRESR2
SCHEMBL2862508 0.81 PTGER1 (0.45) KMT2AABCB1GABRA1GABRB2
SCHEMBL11813233 0.78 HSPA5 (0.40) KMT2ABCL2L1GABRA1GABRB2KCNH2
SCHEMBL1292802 0.77 ABL1 (0.50) KMT2AABL1ABCB1BCRESR2
SCHEMBL17051209 0.77 KMT2A (0.40) KMT2AMMEACECPA1ACE2
SCHEMBL28638330 0.77 ABL1 (0.54) KMT2AABL1ABCB1BCRESR2

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