SCHEMBL9979585

SCHEMBL9979585

CCOC(=O)CC1CCc2cc(SCc3cccc4c3CN(c3ccc(C)cc3)C4=O)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.34
CHRM4 P08173 4/20 0.34
CHRM5 P08912 4/20 0.34
CHRM1 P11229 4/20 0.34
CHRM3 P20309 4/20 0.34
RAB9A P51151 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
CASP3 P42574 2/20 0.33
GRM1 Q13255 2/20 0.33
CREBBP Q92793 1/20 0.32
HTR2C P28335 1/20 0.32
UGCG Q16739 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9979613 0.92 CYP11B1 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9979616 0.91 FFAR4 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9979620 0.91 ITGB3 (0.35) RAB9ANPC1PKMGRM1CREBBP
SCHEMBL9979702 0.82 ALDH1A1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9979619 0.81 ITGB3 (0.35) UGCGFFAR4
SCHEMBL9979517 0.81 FFAR4 (0.43) FFAR4
SCHEMBL9979515 0.74 PPARD (0.39) RAB9AMEN1KMT2APKMCASP3
SCHEMBL9979712 0.74 ALDH1A1 (0.40) RAB9AMEN1KMT2APKMCASP3
SCHEMBL9979570 0.74 ALDH1A1 (0.38) RAB9AMEN1KMT2ANPC1PKM
SCHEMBL9979690 0.72 PPARD (0.43)

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-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed