SCHEMBL9831017

SCHEMBL9831017

CC(CC(=O)O)NC(=O)OC(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.46
HTT P42858 1/20 0.46
OPRM1 P35372 3/20 0.44
CTSK P43235 3/20 0.43
LPAR1 Q92633 5/20 0.43
LPAR3 Q9UBY5 2/20 0.43
FFAR1 O14842 1/20 0.41

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
SCHEMBL15912310 0.82 HCAR2 (0.53) HCAR2HTTOPRM1CTSKLPAR1
SCHEMBL10125211 0.82 HCAR2 (0.53) HCAR2HTTOPRM1CTSKLPAR1
SCHEMBL10125207 0.82 HCAR2 (0.53) HCAR2HTTOPRM1CTSKLPAR1
SCHEMBL9829305 0.79 HCAR2 (0.50) HCAR2HTTOPRM1CTSKLPAR1
SCHEMBL9829311 0.79 HCAR2 (0.50) HCAR2HTTOPRM1CTSKLPAR1
SCHEMBL345954 0.78 CTSK (0.46) HCAR2HTTOPRM1CTSKLPAR1
SCHEMBL9830861 0.77 CTSK (0.48) HCAR2HTTOPRM1CTSKLPAR1
SCHEMBL9830863 0.77 CTSK (0.48) HCAR2HTTOPRM1CTSKLPAR1
SCHEMBL345120 0.77 CTSK (0.46) HCAR2HTTOPRM1CTSKLPAR1
SCHEMBL10152007 0.76 HCAR2 (0.54) HCAR2HTTOPRM1LPAR1LPAR3

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-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed