SCHEMBL9830744

SCHEMBL9830744

COc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
PTPN1 P18031 1/20 0.50
ITGB3 P05106 3/20 0.48
ITGA2B P08514 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
GPR132 Q9UNW8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
CA1 P00915 1/20 0.43
FPR2 P25090 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA5 P08648 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 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
SCHEMBL9830731 1.00 CA2 (0.54) CA2PTPN1ITGB3ITGA2BTAS1R3
SCHEMBL1310175 0.88 PTPN1 (0.56) CA2PTPN1ITGB3ITGA2BGPR132
SCHEMBL1310180 0.88 PTPN1 (0.56) CA2PTPN1ITGB3ITGA2BGPR132
SCHEMBL9830740 0.88 PPARG (0.52) ITGB3ITGA2BTAS1R3TAS1R1GPR132
SCHEMBL9830728 0.88 PPARG (0.52) ITGB3ITGA2BTAS1R3TAS1R1GPR132
SCHEMBL9828758 0.87 PIN1 (0.43) CA2PTPN1GPR132CA1MEN1
SCHEMBL9828763 0.87 PIN1 (0.43) CA2PTPN1GPR132CA1MEN1
SCHEMBL1310658 0.85 ACE (0.48) CA2PTPN1ITGB3ITGA2BGPR132
SCHEMBL1310656 0.85 ACE (0.48) CA2PTPN1ITGB3ITGA2BGPR132
SCHEMBL11273089 0.84 CA2 (0.52) CA2PTPN1GPR132RAB9ACA1

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 6 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 claimed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US claimed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP claimed
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