SCHEMBL7369925

SCHEMBL7369925

CCOC(=O)C(Sc1cccc(Cl)c1)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.44
ALOX5 P09917 2/20 0.42
MAPT P10636 4/20 0.42
GRM5 P41594 1/20 0.42
GAA P10253 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPM5 Q9NZQ8 1/20 0.40
MAPK1 P28482 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
HTT P42858 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL7376137 0.84 ALDH1A1 (0.44) ALOX5MAPTGAAALDH1A1NPSR1
SCHEMBL7371129 0.81 MTNR1B (0.54) ALDH1A1MAPK1
SCHEMBL8329718 0.80 PIN1 (0.50) MAPTNPC1ALDH1A1
SCHEMBL6958711 0.77 CYP2C9 (0.43) MAPTGRM5GAANPC1ALDH1A1
SCHEMBL7371798 0.77 EPHX1 (0.53) MAPTGAANPC1ALDH1A1NPSR1
SCHEMBL1223851 0.76 MAPT (0.61) ALOX12ALOX5MAPTALDH1A1TRPM5
SCHEMBL5847126 0.74 NPSR1 (0.47) MAPTGAANPC1ALDH1A1NPSR1
SCHEMBL1224992 0.74 TRPM5 (0.54) GRM5NPC1ALDH1A1TRPM5ALOX15
SCHEMBL9052329 0.73 MMP8 (0.50) MAPTGRM5GAATRPV1NPC1
SCHEMBL12694091 0.72 ITGB3 (0.49) MAPTGAANPC1ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed