SCHEMBL2865284

SCHEMBL2865284

OCCC(O)Cc1ccccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
DPP4 P27487 1/20 0.47
KCNA5 P22460 3/20 0.45
KCNH2 Q12809 2/20 0.45
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
FOLH1 Q04609 1/20 0.39
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 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
SCHEMBL2855436 0.89 KMT2A (0.54) KMT2ADPP4KCNA5KCNH2PDCD1
SCHEMBL10015434 0.88 KMT2A (0.66) KMT2ADPP4KCNA5KCNH2PDCD1
SCHEMBL16559378 0.86 KMT2A (0.54) KMT2ADPP4KCNA5KCNH2PDCD1
SCHEMBL2864917 0.84 KMT2A (0.53) KMT2ADPP4KCNA5KCNH2PDCD1
SCHEMBL13212054 0.81 KMT2A (0.58) KMT2ADPP4KCNA5KCNH2PDCD1
SCHEMBL379631 0.79 KMT2A (0.64) KMT2ADPP4KCNA5KCNH2CD274
SCHEMBL2864081 0.79 KMT2A (0.54) KMT2ADPP4KCNA5KCNH2PDCD1
SCHEMBL2855335 0.77 KMT2A (0.53) KMT2ADPP4KCNA5KCNH2PDCD1
SCHEMBL16559387 0.77 KMT2A (0.53) KMT2ADPP4KCNA5KCNH2PDCD1
SCHEMBL21480724 0.77 KMT2A (0.53) KMT2ADPP4KCNA5KCNH2PDCD1

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