SCHEMBL5233528

SCHEMBL5233528

CCOC(=O)CC(O)C1(C(=O)OCCC(C)C)CC(OCc2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 1/20 0.34
ADAM17 P78536 1/20 0.34
BCHE P06276 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
PPID Q08752 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MMEL1 Q495T6 1/20 0.34
ABCB1 P08183 1/20 0.33
EP300 Q09472 1/20 0.33
HIF1A Q16665 1/20 0.33
CREBBP Q92793 1/20 0.33
F10 P00742 1/20 0.33
ADORA3 P0DMS8 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
SCHEMBL5234267 0.85 ITGA4 (0.33) PPARGNR1H4L3MBTL1LMNAEPHX2
SCHEMBL5231539 0.81 PPARG (0.37) PPARGNR1H4L3MBTL1LMNAEPHX2
SCHEMBL5236350 0.78 PPARG (0.43) PPARGL3MBTL1LMNAEPHX2BCHE
SCHEMBL5236909 0.74 PPARG (0.40) PPARGL3MBTL1LMNAEPHX2BCHE
SCHEMBL5236919 0.74 PPARG (0.40) PPARGL3MBTL1LMNAEPHX2BCHE
SCHEMBL5232415 0.74 KLK7 (0.47) PPARGEPHX2ADAM17TSHRPPID
SCHEMBL5235374 0.72 KLK7 (0.40) PPARGL3MBTL1EPHX2ABCB1KMT2A
SCHEMBL297404 0.71 ADAM17 (0.45) NR1H4L3MBTL1LMNAEPHX2ADAM17
SCHEMBL15306513 0.71 ADAM17 (0.45) NR1H4L3MBTL1LMNAEPHX2ADAM17
SCHEMBL871442 0.71 ADAM17 (0.46) NR1H4L3MBTL1LMNAEPHX2ADAM17

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