SCHEMBL10978956

SCHEMBL10978956

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
CTSB P07858 1/20 0.44
CAPN1 P07384 1/20 0.37
REN P00797 2/20 0.37
APP P05067 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
CYP2D6 P10635 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3374209 0.88 CA1 (0.44) CA1CA2CA7CTSLCTSS
SCHEMBL13413134 0.86 CA1 (0.45) CA1CA2CA7CTSLCTSS
SCHEMBL13044120 0.86 CA1 (0.45) CA1CA2CA7CTSLCTSS
SCHEMBL2760872 0.86 CA1 (0.45) CA1CA2CA7CTSLCTSS
SCHEMBL9675593 0.84 CA1 (0.46) CA1CA2CA7CTSLCTSS
SCHEMBL9676521 0.84 CA1 (0.46) CA1CA2CA7CTSLCTSS
SCHEMBL13413131 0.84 CA1 (0.45) CA1CA2CA7CTSLCTSS
SCHEMBL7445228 0.82 CA1 (0.44) CA1CA2CA7CTSLCTSS
SCHEMBL14493059 0.82 CYP2D6 (0.50) CA1CA2CA7CTSLCTSS
SCHEMBL2499493 0.82 CYP2D6 (0.50) CA1CA2CA7CTSLCTSS

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-4548926-A RENIN INHIBITOR SANKYO COMPANY LIMITED (JP) 1985-10-22 US disclosed
EP-0128762-A2 New hypotensive peptides, their preparation and their use SANKYO COMPANY LIMITED (JP) 1984-12-19 EP disclosed