SCHEMBL5235374

SCHEMBL5235374

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.40
KLK5 Q9Y337 6/20 0.40
SYK P43405 1/20 0.39
ABCB1 P08183 1/20 0.39
CTSL P07711 1/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
PPARA Q07869 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 1/20 0.36
IDO1 P14902 1/20 0.36
EPHX2 P34913 1/20 0.36
CTRB1 P17538 1/20 0.36
MAPT P10636 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 0.87 SYK (0.43) KLK7KLK5SYKABCB1CTSL
SCHEMBL15306512 0.87 SYK (0.43) KLK7KLK5SYKABCB1CTSL
SCHEMBL14416217 0.85 KLK7 (0.43) KLK7KLK5SYKABCB1CTSL
SCHEMBL14416216 0.83 KMT2A (0.43) KLK7KLK5SYKABCB1CTSL
SCHEMBL5237487 0.83 KMT2A (0.43) KLK7KLK5SYKABCB1CTSL
SCHEMBL15580424 0.80 PPARA (0.42) KLK7KLK5SYKCTSLPPARA
SCHEMBL15580417 0.80 PPARA (0.44) KLK7KLK5SYKCTSLPPARA
SCHEMBL5235644 0.78 SYK (0.41) KLK7KLK5SYKABCB1CTSL
SCHEMBL5236350 0.78 PPARG (0.43) CTSLKMT2AL3MBTL1PPARGEPHX2
SCHEMBL7932810 0.78 OPRM1 (0.43) 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