SCHEMBL670542

SCHEMBL670542

COc1cccc2c1c(C=O)nn2C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TLR2 O60603 1/20 0.39
ERN1 O75460 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
HTR3A P46098 1/20 0.37
EDNRA P25101 1/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MGAM O43451 1/20 0.36

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
SCHEMBL670874 0.74 MAPT (0.38) GAAALDH1A1MAPTTLR2ERN1
SCHEMBL5331216 0.71 ELANE (0.43) POLBL3MBTL1
SCHEMBL15902384 0.70 ERN1 (0.46) GAAALDH1A1MAPTCA12CA1
SCHEMBL670966 0.69 ALDH1A1 (0.46) ALDH1A1MAPTERN1HTR3A
SCHEMBL25250578 0.69 EGFR (0.35) GAAALDH1A1MAPTHTR3A
SCHEMBL30566004 0.69 EGFR (0.35) GAAALDH1A1MAPTHTR3A
SCHEMBL21816286 0.67 MAPT (0.55) GAAALDH1A1MAPTCA12CA1
SCHEMBL23782714 0.64 ELANE (0.49) ALDH1A1
SCHEMBL14631365 0.63 PTGDR2 (0.44) GAAALDH1A1MAPTCA12CA1
SCHEMBL5486761 0.63 CYP19A1 (0.42) GAAALDH1A1MAPTCA12CA1

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-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed