SCHEMBL13198523

SCHEMBL13198523

CC(C)(C)OC(=O)N[C@H](CCCCc1ccccc1)COS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.48
▸ CTSK P43235 8/20 0.47
▸ CTSS P25774 4/20 0.47
▸ SYK P43405 1/20 0.46
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ PPARA Q07869 2/20 0.43
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ APP P05067 1/20 0.41
▸ SIGMAR1 Q99720 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
SCHEMBL6407054 0.92 CTSK (0.53) ATMCTSKCTSSSYKCA12
SCHEMBL272612 0.85 ATM (0.62) ATMCTSKCTSSSYKCA12
SCHEMBL272610 0.85 ATM (0.62) ATMCTSKCTSSSYKCA12
SCHEMBL272611 0.85 ATM (0.62) ATMCTSKCTSSSYKCA12
SCHEMBL28448310 0.83 ATM (0.64) ATMCTSKCTSSSYKCTSL
SCHEMBL17849935 0.83 MAPT (0.57) ATMCTSSSYKCA1PPARA
SCHEMBL20358567 0.83 SYK (0.60) SYKCA1MAPT
SCHEMBL20358568 0.83 SYK (0.60) SYKCA1MAPT
SCHEMBL15716286 0.82 PPARA (0.58) ATMCTSKCTSSSYKCA12
SCHEMBL8194405 0.82 PPARA (0.58) ATMCTSKCTSSSYKCA12

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-2010091104-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS EXELIXIS, INC. (US) 2010-08-12 — — WO disclosed
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