SCHEMBL9829311

SCHEMBL9829311

CC(OC(=O)N[C@@H](C)C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.50
HTT P42858 1/20 0.49
MME P08473 2/20 0.48
LPAR1 Q92633 2/20 0.46
LPAR3 Q9UBY5 1/20 0.46
OPRM1 P35372 3/20 0.44
CTSK P43235 2/20 0.43
LMNA P02545 3/20 0.43
NAAA Q02083 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACE P12821 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL9829305 1.00 HCAR2 (0.50) HCAR2HTTMMELPAR1LPAR3
SCHEMBL10125211 0.86 HCAR2 (0.53) HCAR2HTTLPAR1LPAR3OPRM1
SCHEMBL15912310 0.86 HCAR2 (0.53) HCAR2HTTLPAR1LPAR3OPRM1
SCHEMBL10125207 0.86 HCAR2 (0.53) HCAR2HTTLPAR1LPAR3OPRM1
SCHEMBL9830863 0.81 CTSK (0.48) HCAR2HTTMMELPAR1LPAR3
SCHEMBL9830861 0.81 CTSK (0.48) HCAR2HTTMMELPAR1LPAR3
SCHEMBL9828235 0.81 CA1 (0.46) HCAR2HTTLPAR1LPAR3OPRM1
SCHEMBL9828238 0.81 CA1 (0.46) HCAR2HTTLPAR1LPAR3OPRM1
SCHEMBL8290955 0.80 HCAR2 (0.54) HCAR2HTTLPAR1LPAR3OPRM1
SCHEMBL10152007 0.80 HCAR2 (0.54) HCAR2HTTLPAR1LPAR3OPRM1

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