SCHEMBL1509032

SCHEMBL1509032

CCOC(=O)C(C)(NC(=O)OC(C)(C)C)c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
PTPRB P23467 2/20 0.44
GLA P06280 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.40
TSHR P16473 2/20 0.40
PPARA Q07869 2/20 0.39
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL7233451 0.85 PTPRB (0.45) PTPRBALDH1A1LMNAMAPK1RECQL
SCHEMBL2925457 0.85 PTPRB (0.42) KMT2APTPRBALDH1A1RECQLMAPT
SCHEMBL2490507 0.85 ABCB11 (0.49) KMT2AL3MBTL1GAAPTPRBALDH1A1
SCHEMBL27159469 0.82 MAPT (0.45) KMT2AL3MBTL1GAAALDH1A1LMNA
SCHEMBL27159467 0.82 MAPT (0.45) KMT2AL3MBTL1GAAALDH1A1LMNA
SCHEMBL1111262 0.80 PTPRB (0.39) KMT2APTPRBALDH1A1RECQLMAPT
SCHEMBL1508958 0.79 GAA (0.42) KMT2AL3MBTL1GAAPTPRBALDH1A1
SCHEMBL28553767 0.78 CA1 (0.46) KMT2AL3MBTL1GAAALDH1A1LMNA
SCHEMBL10728032 0.78 ALDH1A1 (0.45) KMT2AL3MBTL1GAAGLAALDH1A1
SCHEMBL838832 0.76 KMT2A (0.51) KMT2AL3MBTL1GAAGLAALDH1A1

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
EP-2298778-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING 4,7-DIAZASPIROÝ2.5¨OCTANE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2011-03-23 EP disclosed