SCHEMBL2863659

SCHEMBL2863659

COc1cccc(Sc2ccccc2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
AR P10275 1/20 0.43
CA4 P22748 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
SLC6A9 P48067 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3289071 0.84 AR (0.56) CA12CA1CA2CA7CA9
SCHEMBL26253981 0.82 SIRT1 (0.50) ALDH1A1LMNAHPGDSIRT1KDM4E
SCHEMBL9487914 0.76 L3MBTL1 (0.50) ALDH1A1LMNAHPGDSIRT1KDM4E
SCHEMBL13696441 0.76 POLB (0.46) CA12CA1CA2CA7CA9
SCHEMBL31005148 0.76 L3MBTL1 (0.50) ALDH1A1LMNAHPGDSIRT1KDM4E
SCHEMBL16494533 0.76 ALDH1A1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL9557282 0.76 MAPT (0.47) ARSLC6A9ALDH1A1LMNAHPGD
SCHEMBL31345522 0.76 AR (0.55) CA12CA1CA2CA7CA9
SCHEMBL8593352 0.75 AR (0.55) CA12CA1CA2CA7CA9
Diphenylsulfane SCHEMBL9746860 0.74 CA1 (0.43) CA12CA1CA2CA7CA9

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