SCHEMBL10358181

SCHEMBL10358181

CC(C)CNC(=O)[C@@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
BACE1 P56817 11/20 0.40
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
CTSB P07858 1/20 0.39
CTSD P07339 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
CAPN1 P07384 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
SCHEMBL7445228 0.89 CA1 (0.44) CA1CA2CA7CTSLCTSS
SCHEMBL9676521 0.87 CA1 (0.46) CA1CA2CA7CTSLCTSS
SCHEMBL9675593 0.87 CA1 (0.46) CA1CA2CA7CTSLCTSS
SCHEMBL13496322 0.86 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL7438624 0.85 CA1 (0.40) CA1CA2CA7BACE1CTSL
SCHEMBL7443255 0.84 CA1 (0.39) CA1CA2CA7BACE1CTSL
SCHEMBL9677769 0.82 REN (0.43) CA1CA2CA7CTSSCTSK
SCHEMBL10866353 0.82 REN (0.43) CA1CA2CA7CTSSCTSK
SCHEMBL9676607 0.82 REN (0.43) CA1CA2CA7CTSSCTSK
SCHEMBL9551920 0.82 REN (0.43) CA1CA2CA7CTSSCTSK

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
EP-0394311-A1 RENIN INHIBITING PEPTIDES THAT CONTAIN AMINO AND HYDROXY DICARBOXYLIC ACIDS THE UPJOHN COMPANY (US) 1990-10-31 EP disclosed
WO-1989004833-A1 RENIN INHIBITING PEPTIDES THAT CONTAIN AMINO AND HYDROXY DICARBOXYLIC ACIDS THE UPJOHN COMPANY (US) 1989-06-01 WO disclosed