SCHEMBL10606451

SCHEMBL10606451

CC(C)CCC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.59
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
CTSD P07339 1/20 0.42
CTSE P14091 1/20 0.42

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
SCHEMBL7447491 0.91 REN (0.51) RENCTSSCTSK
SCHEMBL10444184 0.88 REN (0.53) RENCTSSCTSK
SCHEMBL10444182 0.88 REN (0.53) RENCTSSCTSK
SCHEMBL9358862 0.87 CTSS (0.50) RENCTSSCTSKCTSDCTSE
SCHEMBL7274022 0.87 CTSS (0.50) RENCTSSCTSKCTSDCTSE
SCHEMBL7274017 0.87 CTSS (0.50) RENCTSSCTSKCTSDCTSE
SCHEMBL7492742 0.87 REN (0.48) RENCTSSCTSKCTSDCTSE
SCHEMBL10609342 0.82 REN (0.46) RENCTSSCTSKCTSDCTSE
SCHEMBL7430523 0.82 CTSS (0.52) RENCTSSCTSKCTSDCTSE
SCHEMBL7360557 0.82 CTSS (0.44) RENCTSSCTSKCTSDCTSE

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-4857507-A HYPOTENSIVE AGENT ABBOTT LABORATORIES (US) 1989-08-15 US disclosed