SCHEMBL9726166

SCHEMBL9726166

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

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.44
CTSD P07339 1/20 0.44
CTSE P14091 1/20 0.44
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL9831906 0.84 CTSS (0.43) RENCTSDCTSECTSSCTSK
SCHEMBL9726151 0.82 REN (0.48) RENCTSDCTSECTSSCTSK
SCHEMBL9264380 0.82 REN (0.47) RENCTSDCTSECTSSCTSK
SCHEMBL9270076 0.80 REN (0.49) RENCTSDCTSECTSSCTSK
SCHEMBL9270070 0.80 REN (0.49) RENCTSDCTSECTSSCTSK
SCHEMBL9699404 0.80 REN (0.39) RENCTSDCTSECTSSCTSK
SCHEMBL7326076 0.80 REN (0.51) RENCTSDCTSECTSSCTSK
SCHEMBL7281729 0.78 REN (0.56) RENCTSDCTSECTSSCTSK
SCHEMBL7290532 0.78 REN (0.49) REN
SCHEMBL7334713 0.78 CTSS (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 2 patents. 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
EP-0446751-A1 Glycolic acid derivatives MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed