SCHEMBL9829175

SCHEMBL9829175

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.53
MME P08473 3/20 0.53
REN P00797 1/20 0.49
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47

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
SCHEMBL9829163 1.00 ECE1 (0.53) ECE1MMERENCYP3A4MAPK1
SCHEMBL30134450 0.92 ECE1 (0.54) ECE1MMECYP3A4MAPK1CTSL
SCHEMBL4582904 0.92 MAPK1 (0.53) ECE1MMECYP3A4MAPK1CTSL
SCHEMBL4582911 0.92 MAPK1 (0.53) ECE1MMECYP3A4MAPK1CTSL
SCHEMBL919245 0.92 MAPK1 (0.53) ECE1MMECYP3A4MAPK1CTSL
SCHEMBL9556695 0.89 MAPK1 (0.51) ECE1MMECYP3A4MAPK1CTSL
SCHEMBL9574224 0.88 ECE1 (0.62) ECE1MMECTSLCTSSMEN1
SCHEMBL9325847 0.88 ECE1 (0.62) ECE1MMECTSLCTSSMEN1
SCHEMBL10175007 0.88 CTSL (0.55) ECE1MMECYP3A4MAPK1CTSL
SCHEMBL9324497 0.86 MAPK1 (0.55) ECE1MMECYP3A4MAPK1CTSL

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