SCHEMBL2865709

SCHEMBL2865709

Oc1cccc(O)c1Sc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
CA2 P00918 4/20 0.43
HSD17B10 Q99714 4/20 0.43
ALOX15 P16050 3/20 0.43
CA12 O43570 3/20 0.43
KDM4E B2RXH2 2/20 0.43
EGFR P00533 2/20 0.43
LMNA P02545 2/20 0.43
FYN P06241 2/20 0.43
MAPT P10636 2/20 0.43
MMP9 P14780 2/20 0.43
RECQL P46063 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CA14 Q9ULX7 2/20 0.43
NPC1 O15118 1/20 0.43
GMNN O75496 1/20 0.43
POLB P06746 1/20 0.43
CA3 P07451 1/20 0.43

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
SCHEMBL6937301 0.82 ALDH1A1 (0.55) ALDH1A1HPGDCA2HSD17B10ALOX15
SCHEMBL8888927 0.81 ALDH1A1 (0.50) ALDH1A1HPGDCA2HSD17B10ALOX15
SCHEMBL8723876 0.78 HPGD (0.53) ALDH1A1HPGDCA2HSD17B10CA12
SCHEMBL487237 0.75 SIRT1 (0.50) ALDH1A1HPGDCA2HSD17B10ALOX15
SCHEMBL595125 0.75 ALDH1A1 (0.46) ALDH1A1HPGDCA2HSD17B10ALOX15
Diphenylsulfane SCHEMBL4141111 0.73 ALOX15 (0.71) ALDH1A1HPGDCA2HSD17B10ALOX15
SCHEMBL9557894 0.72 MAPT (0.50) ALDH1A1HPGDCA2HSD17B10CA12
SCHEMBL2853747 0.72 SIRT1 (0.47) ALDH1A1HPGDKDM4ELMNAMAPT
Diphenylsulfane SCHEMBL28332331 0.71 HPGD (0.60) ALDH1A1HPGDHSD17B10KDM4EMAPT
Diphenylsulfane SCHEMBL452 0.71 HPGD (0.60) ALDH1A1HPGDHSD17B10KDM4EMAPT

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