SCHEMBL2853743

SCHEMBL2853743

Cc1ccc(S)c(-c2ccccc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
PDE4B Q07343 4/20 0.41
PDE4A P27815 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
ALDH1A1 P00352 2/20 0.39
ESR2 Q92731 1/20 0.37
TP53 P04637 1/20 0.36
TRPA1 O75762 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KMT2A Q03164 3/20 0.35
AKT2 P31751 1/20 0.35
CTSG P08311 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL29362970 0.83 ELANE (0.47) ELANEPDE4BPDE4APDE4CPDE4D
SCHEMBL20721759 0.83 ELANE (0.47) ELANEPDE4BPDE4APDE4CPDE4D
SCHEMBL21531036 0.81 BRD4 (0.38) ALDH1A1KMT2AAKT2HPGDLMNA
SCHEMBL8337482 0.79 MAPT (0.36) ALDH1A1TP53KMT2AAKT2KDM4E
SCHEMBL27957735 0.79 PDE4B (0.44) ELANEPDE4BPDE4APDE4CPDE4D
SCHEMBL2863657 0.77 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL2865434 0.76 ALOX5 (0.38) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL2866693 0.76 GABRA1 (0.45) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL2528719 0.74 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL2858581 0.73 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DESR2

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