SCHEMBL7429052

SCHEMBL7429052

CCOP(=O)(OCC)C(O)[C@H](CC1CCCCC1)N[C@@H](Cc1c[nH]cn1)C(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.37
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PGC P20142 1/20 0.35

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
SCHEMBL7435729 0.92 REN (0.37) RENCTSDCTSECTSSCTSK
SCHEMBL7429041 0.88 REN (0.45) RENCTSSCTSKPGC
SCHEMBL7429055 0.88 REN (0.45) RENCTSSCTSKPGC
SCHEMBL7434892 0.82 REN (0.33) RENPGC
SCHEMBL7427804 0.82 REN (0.34) REN
SCHEMBL7279832 0.80 REN (0.49) RENCTSDCTSE
SCHEMBL7435734 0.80 REN (0.46) RENCTSSCTSKPGC
SCHEMBL7433349 0.76 REN (0.42) RENCTSD
SCHEMBL9575024 0.75 REN (0.39) RENCTSSPGC
SCHEMBL7434900 0.75 REN (0.39) RENPGC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1989007940-A1 1,2-HYDROXY PHOSPHONATES AND DERIVATIVES THEREOF E.R. SQUIBB & SONS, INC. (US) 1989-09-08 WO claimed
EP-0331105-A2 1,2-Hydroxy phosphonates and derivatives thereof E.R. Squibb & Sons, Inc. (US) 1989-09-06 EP claimed
US-5217958-A Hypotensive agents E. R. SQUIBB & SONS, INC. (US) 1993-06-08 US disclosed
WO-1989007940-A1 1,2-HYDROXY PHOSPHONATES AND DERIVATIVES THEREOF E.R. SQUIBB & SONS, INC. (US) 1989-09-08 WO disclosed
EP-0331105-A2 1,2-Hydroxy phosphonates and derivatives thereof E.R. Squibb & Sons, Inc. (US) 1989-09-06 EP disclosed