SCHEMBL7355086

SCHEMBL7355086

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

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.54
CTSD P07339 1/20 0.53
CTSE P14091 1/20 0.53

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
SCHEMBL7355092 1.00 REN (0.54) RENCTSDCTSE
SCHEMBL7346471 0.99 REN (0.54) RENCTSDCTSE
SCHEMBL7346458 0.99 REN (0.54) RENCTSDCTSE
SCHEMBL7272241 0.88 REN (0.58) REN
SCHEMBL5709645 0.88 REN (0.58) REN
SCHEMBL6696371 0.88 REN (0.58) REN
SCHEMBL7266599 0.88 REN (0.58) REN
SCHEMBL7357035 0.86 REN (0.49) RENCTSDCTSE
SCHEMBL7350020 0.85 REN (0.61) REN
SCHEMBL7349332 0.85 REN (0.66) REN

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-5338726-A Hypotensive agents, antiulcer agents ABBOTT LABORATORIES (US) 1994-08-16 US disclosed
WO-1992013545-A1 ENDOTHELIN CONVERTING ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1992-08-20 WO disclosed