SCHEMBL16901697

SCHEMBL16901697

Cc1ccc(S(=O)(=O)c2ccc(C3(c4ccc(O)cc4)OCCO3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
RAPGEF4 Q8WZA2 2/20 0.44
PKM P14618 4/20 0.43
ACHE P22303 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ENPP2 Q13822 1/20 0.38
ELANE P08246 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MPI P34949 1/20 0.38
MCL1 Q07820 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CA2 P00918 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL16901700 0.92 HTT (0.51) GAARAPGEF4PKMMAPTMEN1
SCHEMBL13745120 0.80 LMNA (0.50) PKMACHEMAPTALDH1A1MEN1
SCHEMBL51347 0.80 GAA (0.76) GAARAPGEF4PKMACHEMAPT
SCHEMBL10035480 0.80 GAA (0.76) GAARAPGEF4PKMACHEMAPT
SCHEMBL13745119 0.78 ESR1 (0.45) GAAACHEMAPTALDH1A1MEN1
SCHEMBL12857745 0.78 MEN1 (0.45) GAAACHEMAPTALDH1A1MEN1
SCHEMBL15867040 0.78 SOS1 (0.43) GAAPKMELANE
SCHEMBL16901698 0.78 GAA (0.38) GAARAPGEF4PKMMAPTALDH1A1
SCHEMBL15908233 0.78 MAOB (0.40) ACHEKMT2ASMN1; SMN2CYP3A4
SCHEMBL235335 0.78 ESR2 (0.44) MAPTALDH1A1MEN1KMT2ALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150200413-A1 METHOD FOR PRODUCING POLYMER ELECTROLYTE MOLDED ARTICLE, POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE MEMBRANE, AND POLYMER ELECTROLYTE FUEL CELL TORAY INDUSTRIES, INC. (JP) 2015-07-16 US disclosed