SCHEMBL9726151

SCHEMBL9726151

CCNC(=O)NC[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.48
CTSD P07339 1/20 0.48
CTSE P14091 1/20 0.48
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL9270076 0.83 REN (0.49) RENCTSDCTSECTSSCTSK
SCHEMBL9270070 0.83 REN (0.49) RENCTSDCTSECTSSCTSK
SCHEMBL9726166 0.82 REN (0.44) RENCTSDCTSECTSSCTSK
SCHEMBL7326076 0.82 REN (0.51) RENCTSDCTSECTSSCTSK
SCHEMBL7281729 0.81 REN (0.56) RENCTSDCTSECTSSCTSK
SCHEMBL9264380 0.80 REN (0.47) RENCTSDCTSECTSSCTSK
SCHEMBL7334713 0.80 CTSS (0.50) RENCTSDCTSECTSSCTSK
SCHEMBL7327167 0.79 REN (0.50) RENCTSDCTSECTSSCTSK
SCHEMBL9726231 0.79 REN (0.55) REN
SCHEMBL7273787 0.79 REN (0.50) RENCTSDCTSECTSSCTSK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5147857-A Enzyme inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-09-15 US disclosed