SCHEMBL8558063

SCHEMBL8558063

COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP1A2 P05177 1/20 0.57
MAPT P10636 3/20 0.54
PLCG2 P16885 1/20 0.54
DAGLA Q9Y4D2 8/20 0.51
ABHD6 Q9BV23 3/20 0.51
PGR P06401 2/20 0.47
PKM P14618 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
KCNH2 Q12809 1/20 0.46
PKLR P30613 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GHSR Q92847 1/20 0.42
TRIM24 O15164 1/20 0.42
BRD1 O95696 1/20 0.42
BRPF1 P55201 1/20 0.42

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
SCHEMBL8553826 0.88 DAGLA (0.51) CYP3A4CYP2C19CYP1A2MAPTPLCG2
SCHEMBL8557090 0.86 PKM (0.51) CYP3A4CYP2C19CYP1A2DAGLAABHD6
SCHEMBL8557971 0.86 ATM (0.56) CYP3A4CYP2C19DAGLAABHD6PKM
SCHEMBL27481312 0.84 PKM (0.48) CYP3A4CYP2C19MAPTPLCG2DAGLA
SCHEMBL27482783 0.81 DAGLA (0.52) CYP3A4CYP2C19MAPTPLCG2DAGLA
SCHEMBL21950002 0.79 MAPT (0.55) MAPTPLCG2DAGLAABHD6PKM
SCHEMBL8557528 0.79 PKM (0.71) MAPTPLCG2PGRPKMCYP2D6
SCHEMBL8557486 0.78 DAGLA (0.49) CYP3A4CYP2C19MAPTPLCG2DAGLA
SCHEMBL7820055 0.74 HIF1A (0.60) CYP3A4CYP2C19CYP1A2PGRL3MBTL1
SCHEMBL5622356 0.73 PGR (0.79) CYP3A4CYP2C19CYP1A2MAPTPGR

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