SCHEMBL3455065

SCHEMBL3455065

CCOC(=O)c1sc(C)nc1OCc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.52
MAPT P10636 7/20 0.50
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 2/20 0.50
MAOB P27338 6/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ROCK2 O75116 1/20 0.45
MAOA P21397 2/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL3455157 0.87 KDM4E (0.52) MAPTKDM4EMAOBHPGDLMNA
SCHEMBL15049279 0.87 TRPM8 (0.60) TRPM8MAPTKDM4EALDH1A1MAOB
SCHEMBL9795318 0.84 MAPT (0.54) MAPTKDM4EALDH1A1MAOBHPGD
SCHEMBL15049165 0.83 TRPM8 (0.62) TRPM8MAPTMAOBKMT2AMEN1
SCHEMBL15049051 0.80 TRPM8 (0.67) TRPM8MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL1968418 0.76 TRPM8 (0.65) TRPM8MAPTKDM4EALDH1A1HPGD
SCHEMBL20654264 0.76 NPC1 (0.51) TRPM8MAPTKDM4EALDH1A1HPGD
SCHEMBL28047041 0.75 MAPT (0.52) TRPM8MAPTKDM4EALDH1A1HPGD
SCHEMBL15049355 0.74 TRPM8 (0.68) TRPM8MAPTKDM4EALDH1A1KMT2A
SCHEMBL28884890 0.74 MAPT (0.51) TRPM8MAPTKDM4EALDH1A1MAOB

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-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed