SCHEMBL2864081

SCHEMBL2864081

CC(O)CC(O)Cc1ccccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
DPP4 P27487 1/20 0.44
KCNA5 P22460 3/20 0.43
KCNH2 Q12809 3/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
ADRB2 P07550 2/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
FOLH1 Q04609 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
CYP2D6 P10635 2/20 0.37
PPARG P37231 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
SCHEMBL5272384 0.85 KMT2A (0.61) KMT2APDCD1CD274DPP4KCNA5
SCHEMBL10015434 0.85 KMT2A (0.66) KMT2APDCD1CD274DPP4KCNA5
SCHEMBL2864917 0.85 KMT2A (0.53) KMT2APDCD1CD274DPP4KCNA5
SCHEMBL2855335 0.85 KMT2A (0.53) KMT2APDCD1CD274DPP4KCNA5
SCHEMBL13212054 0.82 KMT2A (0.58) KMT2APDCD1CD274DPP4KCNA5
SCHEMBL27527250 0.80 KMT2A (0.59) KMT2APDCD1CD274DPP4KCNA5
SCHEMBL4375768 0.80 KMT2A (0.53) KMT2APDCD1CD274DPP4KCNA5
SCHEMBL16559378 0.79 KMT2A (0.54) KMT2APDCD1CD274DPP4KCNA5
SCHEMBL2865284 0.79 KMT2A (0.58) KMT2APDCD1CD274DPP4KCNA5
SCHEMBL21480724 0.78 KMT2A (0.53) KMT2APDCD1CD274DPP4KCNA5

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