SCHEMBL5234945

SCHEMBL5234945

CCOC(=O)CC(C[N+](=O)[O-])C1(NC(=O)OC(C)(C)C)CC(OCc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.42
KLK5 Q9Y337 6/20 0.42
SYK P43405 1/20 0.39
PPARA Q07869 1/20 0.35
TSHR P16473 1/20 0.34
EPHX2 P34913 1/20 0.34
CTSL P07711 1/20 0.34
ABCB1 P08183 1/20 0.34
CTSS P25774 4/20 0.34
PPID Q08752 1/20 0.34
CACNA1B Q00975 1/20 0.33

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
SCHEMBL5232415 0.85 KLK7 (0.47) KLK7KLK5SYKPPARATSHR
SCHEMBL9146864 0.79 CYP1A2 (0.36) TSHRCTSL
SCHEMBL4671087 0.78 CYP1A2 (0.35) CTSL
SCHEMBL5234267 0.77 ITGA4 (0.33) EPHX2CTSL
SCHEMBL5235644 0.76 SYK (0.41) KLK7KLK5SYKPPARATSHR
SCHEMBL296601 0.75 SYK (0.43) KLK7KLK5SYKPPARAEPHX2
SCHEMBL15306512 0.75 SYK (0.43) KLK7KLK5SYKPPARAEPHX2
SCHEMBL14416216 0.71 KMT2A (0.43) KLK7KLK5SYKPPARAEPHX2
SCHEMBL5237487 0.71 KMT2A (0.43) KLK7KLK5SYKPPARAEPHX2
SCHEMBL17691231 0.70 EPHX2 (0.42) KLK7KLK5SYKPPARAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990654-B1 SUBSTITUTED CYCLOBUTYLAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2007-11-14 EP disclosed
US-6448266-B1 COMPOUNDS SUCH AS 2-AMINO-7-(3-(3-AMINO-1-FLUOROCYCLOBUTAN-3-YL)PYRROLIDIN-1-YL)-6-FLUORO-1-(2-FLUORO-1-CYCLOPROPYL)-8-METHYL-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID; ANTIBACTERIAL ACTIVITY; STAPHYLOCOCCUS, PNEUMOCOCCUS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-09-10 US disclosed
EP-0990654-A1 SUBSTITUTED CYCLOBUTYLAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP disclosed