SCHEMBL9829010

SCHEMBL9829010

CC(C)CC(NC(=O)C(C)N(C(=O)CNC(=O)c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.51
CTSB P07858 2/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
MME P08473 3/20 0.46
CA2 P00918 2/20 0.46
CA1 P00915 2/20 0.46
GRN P28799 2/20 0.44
SORT1 Q99523 2/20 0.44
GPR139 Q6DWJ6 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL27675065 0.90 MME (0.47) CTSLCTSBCTSSCTSKMME
SCHEMBL9831516 0.83 MME (0.50) CTSLCTSBCTSSCTSKMME
SCHEMBL6854264 0.83 MME (0.54) CTSLCTSBCTSSCTSKMME
SCHEMBL27693745 0.82 MME (0.53) CTSLCTSBCTSSCTSKMME
SCHEMBL7364514 0.81 FOLH1 (0.39) GPR139
SCHEMBL6670978 0.79 GPR139 (0.63) CTSLCTSBCTSSCTSKCA2
SCHEMBL6670986 0.79 GPR139 (0.63) CTSLCTSBCTSSCTSKCA2
SCHEMBL2158900 0.78 CTSL (0.67) CTSLCTSBCTSSCTSKMME
SCHEMBL2158906 0.78 CTSL (0.67) CTSLCTSBCTSSCTSKMME
SCHEMBL4465251 0.78 CTSL (0.67) CTSLCTSBCTSSCTSKMME

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
CN-1036832-C Composition containing a penem or carbapenem artibiotic and the use of the same SANKYO CO (JP) 1997-12-31 CN claimed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP claimed
CN-86107574-A Compositions containing penem or carbapenem antibiotics and their use 1987-05-20 CN claimed