SCHEMBL8553826

SCHEMBL8553826

COc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 11/20 0.51
ABHD6 Q9BV23 2/20 0.51
CYP3A4 P08684 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
KCNH2 Q12809 2/20 0.48
MAPT P10636 1/20 0.47
PLCG2 P16885 1/20 0.47
PKM P14618 3/20 0.47
PKLR P30613 1/20 0.47
PGR P06401 1/20 0.45
CYP1A2 P05177 1/20 0.44
NR1I2 O75469 1/20 0.43
DAGLB Q8NCG7 1/20 0.43
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8558063 0.88 CYP3A4 (0.57) DAGLAABHD6CYP3A4CYP2C19CYP2D6
SCHEMBL8557971 0.86 ATM (0.56) DAGLAABHD6CYP3A4CYP2C19CYP2D6
SCHEMBL27482783 0.82 DAGLA (0.52) DAGLAABHD6CYP3A4CYP2C19CYP2D6
SCHEMBL8557486 0.80 DAGLA (0.49) DAGLAABHD6CYP3A4CYP2C19CYP2D6
SCHEMBL8557090 0.79 PKM (0.51) DAGLAABHD6CYP3A4CYP2C19CYP2D6
SCHEMBL27481312 0.79 PKM (0.48) DAGLAABHD6CYP3A4CYP2C19CYP2D6
SCHEMBL21950002 0.76 MAPT (0.55) DAGLAABHD6KCNH2MAPTPLCG2
SCHEMBL7822894 0.76 HIF1A (0.57) PGRHIF1AEPAS1
SCHEMBL2245024 0.74 DAGLA (0.84) DAGLAABHD6CYP3A4CYP2C19CYP2D6
SCHEMBL7821015 0.74 PGR (0.44) CYP3A4CYP2C19MAPTPGRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828733-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Novartis AG (CH) 1998-03-18 EP disclosed
WO-1996037490-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 1996-11-28 WO disclosed