SCHEMBL2878593

SCHEMBL2878593

CCCc1ccc(C(=O)c2ccccc2Oc2cc(O)ccc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
F2 P00734 1/20 0.43
CNR2 P34972 1/20 0.43
LIG1 P18858 1/20 0.42
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL2876240 0.93 CNR2 (0.45) F2CNR2LIG1PLK1
SCHEMBL2881185 0.91 MEN1 (0.46) NPC1RAB9AKMT2ACNR2LIG1
SCHEMBL2877482 0.90 KMT2A (0.47) NPC1RAB9AKMT2APOLBMCOLN3
SCHEMBL2872132 0.85 AKR1C3 (0.48) NPC1RAB9AKMT2APOLBLIG1
SCHEMBL2879182 0.83 CNR2 (0.45) CNR2PLK1
SCHEMBL2872544 0.81 MEN1 (0.46) NPC1RAB9AKMT2ALIG1MAPT
SCHEMBL5709868 0.77 KMT2A (0.59) NPC1RAB9AKMT2APOLBMCOLN3
SCHEMBL30320276 0.77 KMT2A (0.59) NPC1RAB9AKMT2APOLBMCOLN3
SCHEMBL27677112 0.75 MAPT (0.50) KMT2AMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL2860919 0.74 SLC6A2 (0.45) KMT2AF2

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