SCHEMBL3471618

SCHEMBL3471618

O=C1Nc2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2C12OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.49
FEN1 P39748 5/20 0.49
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 3/20 0.45
OPRM1 P35372 2/20 0.43
OPRK1 P41145 2/20 0.43
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
EGFR P00533 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3468579 0.96 GAA (0.48) ALOX5APFEN1GAAKDM4EALDH1A1
SCHEMBL3472575 0.81 OPRM1 (0.51) ALOX5APFEN1GAAKMT2AOPRM1
SCHEMBL9098061 0.74 KMT2A (0.61) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL978033 0.71 ALOX5AP (0.59) ALOX5APFEN1GAAKMT2AOPRM1
SCHEMBL3468580 0.70 CNR2 (0.47) GAAKDM4EALDH1A1KMT2AMEN1
SCHEMBL3469163 0.69 CASP3 (0.55) GAAKDM4ECASP1CASP7KMT2A
SCHEMBL24270339 0.68 KMT2A (0.78) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL5225323 0.67 PGR (0.65) KMT2AMEN1POLB
SCHEMBL2782035 0.67 KMT2A (0.56) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL6947705 0.66 GAA (0.62) GAAKDM4EALDH1A1HPGDHSD17B10

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
WO-2010077839-A1 SUBSTITUTED OXINDOL CB2 AGONISTS FOR PAIN TREATMENT WYETH LLC (FORMERLY KNOWN AS WYETH) (US) 2010-07-08 WO disclosed