SCHEMBL2866432

SCHEMBL2866432

CCc1cc(S)c(-c2ccccc2)c(CC)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN5 P54829 1/20 0.39
KDM4E B2RXH2 3/20 0.38
RCE1 Q9Y256 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
GCGR P47871 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
USP7 Q93009 2/20 0.37
CHEK1 O14757 1/20 0.36
WEE1 P30291 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2861293 0.87 ESR1 (0.44) ESR1ESR2POLBRECQLSMN1; SMN2
SCHEMBL2858608 0.81 PPARG (0.34) ESR1ESR2KDM4ERCE1GCGR
SCHEMBL2865381 0.79 GCGR (0.40) ESR1ESR2KDM4EGCGRALDH1A1
SCHEMBL2865444 0.75 PPARG (0.34) ESR1ESR2KDM4ERCE1GCGR
SCHEMBL2866693 0.75 GABRA1 (0.45) ESR1ESR2SMN1; SMN2PTPN5KDM4E
SCHEMBL2870897 0.75 HDAC4 (0.44) POLBRECQLSMN1; SMN2PTPN5KDM4E
SCHEMBL2860930 0.75 ESR1 (0.51) ESR1ESR2POLBRECQLSMN1; SMN2
SCHEMBL27957737 0.73 ESR1 (0.50) ESR1ESR2POLBRECQLSMN1; SMN2
SCHEMBL2868213 0.73 GCGR (0.40) ESR1ESR2KDM4EGCGRALDH1A1
SCHEMBL1023740 0.71 PTPN1 (0.55) SMN1; SMN2PTPN5GABRA1GABRB2HDAC4

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