SCHEMBL5235644

SCHEMBL5235644

CCOC(=O)CC(=O)C1(NC(=O)OC(C)(C)C)CC(OCc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
KLK7 P49862 5/20 0.41
KLK5 Q9Y337 3/20 0.41
PPID Q08752 1/20 0.40
EPHX2 P34913 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
AKT1 P31749 2/20 0.37
CTSL P07711 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
ABCB1 P08183 1/20 0.37
PPARA Q07869 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL296601 0.89 SYK (0.43) SYKKLK7KLK5EPHX2KMT2A
SCHEMBL15306512 0.89 SYK (0.43) SYKKLK7KLK5EPHX2KMT2A
SCHEMBL5237487 0.85 KMT2A (0.43) SYKKLK7KLK5EPHX2KMT2A
SCHEMBL14416216 0.85 KMT2A (0.43) SYKKLK7KLK5EPHX2KMT2A
SCHEMBL14416217 0.83 KLK7 (0.43) SYKKLK7KLK5EPHX2KMT2A
SCHEMBL15580417 0.82 PPARA (0.44) SYKKLK7KLK5EPHX2KMT2A
SCHEMBL15580424 0.82 PPARA (0.42) SYKKLK7KLK5EPHX2KMT2A
SCHEMBL5232415 0.81 KLK7 (0.47) SYKKLK7KLK5PPIDEPHX2
SCHEMBL7936447 0.79 OPRM1 (0.44) SYKKLK7KLK5EPHX2KMT2A
SCHEMBL5235374 0.78 KLK7 (0.40) SYKKLK7KLK5EPHX2KMT2A

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