SCHEMBL5232415

SCHEMBL5232415

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 6/20 0.47
KLK5 Q9Y337 5/20 0.47
SYK P43405 1/20 0.41
CTSL P07711 1/20 0.39
PPARA Q07869 2/20 0.39
PPID Q08752 1/20 0.38
EPHX2 P34913 1/20 0.38
TSHR P16473 1/20 0.38
CTSS P25774 2/20 0.37
ABCB1 P08183 1/20 0.37
CACNA1B Q00975 2/20 0.36
PPARG P37231 1/20 0.36
ADAM17 P78536 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
SCHEMBL5234945 0.85 KLK7 (0.42) KLK7KLK5SYKCTSLPPARA
SCHEMBL5235644 0.81 SYK (0.41) KLK7KLK5SYKCTSLPPARA
SCHEMBL15306512 0.80 SYK (0.43) KLK7KLK5SYKCTSLPPARA
SCHEMBL296601 0.80 SYK (0.43) KLK7KLK5SYKCTSLPPARA
SCHEMBL14416216 0.76 KMT2A (0.43) KLK7KLK5SYKCTSLPPARA
SCHEMBL5237487 0.76 KMT2A (0.43) KLK7KLK5SYKCTSLPPARA
SCHEMBL17691231 0.75 EPHX2 (0.42) KLK7KLK5SYKCTSLPPARA
SCHEMBL4674223 0.74 UGT2B7 (0.40) CTSLTSHR
SCHEMBL18506647 0.74 EPHX2 (0.41) KLK7KLK5SYKCTSLPPARA
SCHEMBL18506634 0.74 EPHX2 (0.41) KLK7KLK5SYKCTSLPPARA

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