SCHEMBL9829009

SCHEMBL9829009

C[C@H](NC(=O)CNC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 13/20 0.70
SLC6A9 P48067 3/20 0.56
SLC6A5 Q9Y345 2/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
TAOK1 Q7L7X3 1/20 0.53
TAOK3 Q9H2K8 1/20 0.53
GAA P10253 1/20 0.50

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
SCHEMBL9829001 1.00 GPR139 (0.70) GPR139SLC6A9SLC6A5MEN1KMT2A
SCHEMBL4055985 0.87 GPR139 (0.74) GPR139SLC6A9SLC6A5MEN1KMT2A
SCHEMBL22811219 0.86 ALDH1A1 (0.56) GPR139SLC6A9SLC6A5MEN1KMT2A
SCHEMBL9831837 0.84 GPR139 (0.59) GPR139SLC6A9SLC6A5MEN1KMT2A
SCHEMBL9831842 0.84 GPR139 (0.59) GPR139SLC6A9SLC6A5MEN1KMT2A
SCHEMBL14660470 0.84 KMT2A (0.59) GPR139MEN1KMT2A
SCHEMBL9830497 0.84 GPR139 (0.67) GPR139SLC6A9SLC6A5MEN1KMT2A
SCHEMBL9830492 0.84 GPR139 (0.67) GPR139SLC6A9SLC6A5MEN1KMT2A
SCHEMBL6670978 0.82 GPR139 (0.63) GPR139SLC6A9SLC6A5MEN1KMT2A
SCHEMBL6670986 0.82 GPR139 (0.63) GPR139SLC6A9SLC6A5MEN1KMT2A

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