SCHEMBL9828973

SCHEMBL9828973

CC(C(=O)NCC(O)CC(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.49
ERCC4 Q92889 1/20 0.49
GRM7 Q14831 2/20 0.43
POLB P06746 1/20 0.43
BCHE P06276 6/20 0.43
BCAT2 O15382 1/20 0.41
MME P08473 1/20 0.41
GPR88 Q9GZN0 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
SCHEMBL7748966 0.82 ERCC1 (0.55) ERCC1ERCC4GRM7POLBGPR88
SCHEMBL17307874 0.82 ERCC1 (0.55) ERCC1ERCC4GRM7POLBGPR88
SCHEMBL6137585 0.78 MME (0.62) ERCC1ERCC4GRM7POLBMME
SCHEMBL10138151 0.76 PKM (0.58) ERCC1ERCC4GRM7POLBGPR88
SCHEMBL19523017 0.76 PKM (0.58) ERCC1ERCC4GRM7POLBGPR88
SCHEMBL9829224 0.76 SLC22A6 (0.48)
SCHEMBL14540295 0.76 ERCC1 (0.52) ERCC1ERCC4MME
SCHEMBL3200580 0.76 ERCC1 (0.52) ERCC1ERCC4MME
SCHEMBL9830287 0.73 NPC1 (0.62) POLB
SCHEMBL22051371 0.73 ERCC1 (0.54) ERCC1ERCC4GRM7POLBGPR88

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