SCHEMBL9830740

SCHEMBL9830740

CCCCOc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.52
PPARA Q07869 1/20 0.52
ITGB1 P05556 4/20 0.48
ITGA4 P13612 3/20 0.48
ITGB3 P05106 4/20 0.48
ITGA2B P08514 3/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
ITGAV P06756 1/20 0.46
ITGA5 P08648 1/20 0.46
GAA P10253 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
STAT3 P40763 1/20 0.45
GPR132 Q9UNW8 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL9830728 1.00 PPARG (0.52) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL9830731 0.88 CA2 (0.54) PPARGITGB1ITGB3ITGA2BTAS1R3
SCHEMBL9830744 0.88 CA2 (0.54) PPARGITGB1ITGB3ITGA2BTAS1R3
SCHEMBL9828758 0.84 PIN1 (0.43) LMNASMN1; SMN2GPR132HPGD
SCHEMBL9828763 0.84 PIN1 (0.43) LMNASMN1; SMN2GPR132HPGD
SCHEMBL7300949 0.83 ITGB3 (0.41) ITGB1ITGA4ITGB3ITGA2BSMN1; SMN2
SCHEMBL7300962 0.83 ITGB3 (0.41) ITGB1ITGA4ITGB3ITGA2BSMN1; SMN2
SCHEMBL1310658 0.82 ACE (0.48) ITGB1ITGB3ITGA2BITGAVITGA5
SCHEMBL1310656 0.82 ACE (0.48) ITGB1ITGB3ITGA2BITGAVITGA5
SCHEMBL11273089 0.82 CA2 (0.52) GPR132RAB9A

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