SCHEMBL7438624

SCHEMBL7438624

CC[C@H](C)C(=O)NC(=O)C(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 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CTSS P25774 3/20 0.35
CTSK P43235 3/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 1/20 0.35
CAPN1 P07384 1/20 0.34
TSHR P16473 1/20 0.33
REN P00797 3/20 0.33
TP53 P04637 1/20 0.32
CTSD P07339 1/20 0.32
CTSE P14091 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL7443255 0.87 CA1 (0.39) CA1CA2CA7CTSSCTSK
SCHEMBL7445228 0.86 CA1 (0.44) CA1CA2CA7CTSSCTSK
SCHEMBL10358181 0.85 CA1 (0.42) CA1CA2CA7CTSSCTSK
SCHEMBL9676521 0.84 CA1 (0.46) CA1CA2CA7CTSSCTSK
SCHEMBL9675593 0.84 CA1 (0.46) CA1CA2CA7CTSSCTSK
SCHEMBL10866353 0.83 REN (0.43) CA1CA2CA7CTSSCTSK
SCHEMBL9676607 0.83 REN (0.43) CA1CA2CA7CTSSCTSK
SCHEMBL9677769 0.83 REN (0.43) CA1CA2CA7CTSSCTSK
SCHEMBL9551920 0.83 REN (0.43) CA1CA2CA7CTSSCTSK
SCHEMBL9551921 0.83 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-0364493-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1990-04-25 EP disclosed
WO-1989001488-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1989-02-23 WO disclosed