SCHEMBL9828293

SCHEMBL9828293

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.49
FNTA P49354 6/20 0.47
FNTB P49356 6/20 0.47
PGGT1B P53609 6/20 0.47
CASP1 P29466 1/20 0.45
BCL2L1 Q07817 1/20 0.43
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
MME P08473 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
SCHEMBL9828282 1.00 BACE1 (0.49) BACE1FNTAFNTBPGGT1BCASP1
SCHEMBL9830035 0.85 PSMB5 (0.49) GRNSORT1CTSLCTSBCTSS
SCHEMBL9830052 0.85 PSMB5 (0.49) GRNSORT1CTSLCTSBCTSS
SCHEMBL10870329 0.83 REN (0.44) CTSSMME
SCHEMBL6244616 0.82 CASP1 (0.57) BACE1FNTAFNTBPGGT1BCASP1
SCHEMBL6244622 0.82 CASP1 (0.57) BACE1FNTAFNTBPGGT1BCASP1
SCHEMBL7317706 0.80 REN (0.52)
SCHEMBL7305979 0.80 REN (0.52)
SCHEMBL9830000 0.80 CA2 (0.47) GRNSORT1CTSLMME
SCHEMBL10660207 0.80 CA2 (0.47) GRNSORT1CTSLCTSSMME

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