SCHEMBL9828875

SCHEMBL9828875

O=C(CNC(=O)OCc1ccccc1)NCC(=O)NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ITGB3 P05106 9/20 0.43
ITGA2B P08514 7/20 0.43
ITGAV P06756 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.42
MME P08473 2/20 0.41
ECE1 P42892 2/20 0.41
FOLH1 Q04609 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
SCHEMBL9828889 1.00 MAPK1 (0.44) MAPK1ITGB3ITGA2BITGAVALDH1A1
SCHEMBL9828822 0.98 MAPK1 (0.45) MAPK1ITGB3ITGA2BITGAVALDH1A1
SCHEMBL9828841 0.98 MAPK1 (0.45) MAPK1ITGB3ITGA2BITGAVALDH1A1
Water SCHEMBL11367778 0.97 MAPK1 (0.44) MAPK1ITGB3ITGA2BALDH1A1CYP3A4
SCHEMBL11338769 0.90 MAPK1 (0.46) MAPK1ALDH1A1CYP3A4
SCHEMBL11331027 0.88 CTSL (0.43) MAPK1ALDH1A1CYP3A4
SCHEMBL2177818 0.88 BMP1 (0.48) ITGB3ITGA2BITGAVFOLH1
SCHEMBL28011820 0.88 BMP1 (0.48) ITGB3ITGA2BITGAVFOLH1
SCHEMBL24795018 0.87 ITGB3 (0.53) ITGB3ITGA2BITGAVMMEECE1
SCHEMBL254638 0.87 ITGB3 (0.53) ITGB3ITGA2BITGAVMMEECE1

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