SCHEMBL2866692

SCHEMBL2866692

CCc1ccccc1Sc1c(O)cccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
P4HB P07237 1/20 0.43
HSPA5 P11021 1/20 0.39
AKR1B1 P15121 1/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
HPGD P15428 2/20 0.38
CYP2D6 P10635 2/20 0.38
ACHE P22303 1/20 0.38
GFER P55789 1/20 0.38
IAPP P10997 2/20 0.38
ANPEP P15144 1/20 0.37
DPP4 P27487 1/20 0.37
TSHR P16473 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL2861841 0.86 HTR1A (0.41) GABRA1GABRB2P4HBHSPA5IAPP
SCHEMBL2861290 0.86 GABRA1 (0.44) GABRA1GABRB2P4HBIAPPANPEP
SCHEMBL12090255 0.85 P4HB (0.57) GABRA1GABRB2P4HBHSPA5AKR1B1
SCHEMBL2862578 0.83 BID (0.44) P4HBIAPPTSHRMMP2KDM4E
SCHEMBL2863980 0.82 BID (0.50) TSHRMMP2KDM4EMAPTMCL1
SCHEMBL2853791 0.80 BID (0.52) TSHRMMP2KDM4EMAPTMCL1
SCHEMBL74169 0.80 SLC6A2 (0.47) GABRA1GABRB2P4HBACHEALDH1A1
SCHEMBL2865443 0.76 IAPP (0.36) IAPPMCL1
SCHEMBL2853741 0.75 TRPA1 (0.46) CYP2C19HPGDACHETSHRMMP9
SCHEMBL73812 0.75 APOBEC3G (0.59) GABRA1GABRB2ACHEALDH1A1MAPK1

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