SCHEMBL2823345

SCHEMBL2823345

O=C1NC(=O)c2c1cccc2C(=O)OO

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CASP3 P42574 8/20 0.46
RXFP1 Q9HBX9 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
GSK3B P49841 2/20 0.42
PARP1 P09874 1/20 0.40
LIG1 P18858 1/20 0.40
NPC1 O15118 1/20 0.40
GSK3A P49840 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MAPK10 P53779 1/20 0.37

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
SCHEMBL2424940 0.85 KDM4E (0.54) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL10339858 0.82 KEAP1 (0.56) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL543980 0.81 MEN1 (0.55) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL439731 0.80 LIG1 (0.56) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL5128860 0.79 KDM4E (0.58) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL825208 0.78 KDM4E (0.46) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL6030289 0.77 CASP3 (0.58) ALDH1A1CASP3L3MBTL1POLBNPC1
SCHEMBL11612938 0.77 KDM4E (0.49) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL9768590 0.77 KDM4E (0.51) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL11782331 0.76 TSHR (0.59) KDM4EALDH1A1HSD17B10L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4103698-A None JP disclosed
JP-4103697-A None JP disclosed
US-7842654-B2 Method, articles and compositions for cleaning bathroom surfaces THE PROCTER & GAMBLE COMPANY (US) 2010-11-30 US disclosed
JP-2010138268-A LIQUID BLEACHING DETERGENT COMPOSITION KAO CORP 2010-06-24 JP disclosed
JP-2010138269-A LIQUID BLEACHING DETERGENT COMPOSITION KAO CORP 2010-06-24 JP disclosed
EP-1689844-A1 METHOD, ARTICLES AND COMPOSITIONS FOR CLEANING BATHROOM SURFACES THE PROCTER & GAMBLE COMPANY (US) 2006-08-16 EP disclosed
WO-2005056745-A1 METHOD, ARTICLES AND COMPOSITIONS FOR CLEANING BATHROOM SURFACES THE PROCTER & GAMBLE COMPANY (US) 2005-06-23 WO disclosed
US-20050124519-A1 Method, articles and compositions for cleaning bathroom surfaces THE PROCTER & GAMBLE COMPANY 2005-06-09 US disclosed
JP-H04103697-A BLEACHING AGENT COMPOSITION KAO CORP 1992-04-06 JP disclosed
JP-H04103698-A BLEACHING AGENT COMPOSITION KAO CORP 1992-04-06 JP disclosed