SCHEMBL7435372

SCHEMBL7435372

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.52
CTSL P07711 2/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CAPN1 P07384 1/20 0.45
AAK1 Q2M2I8 2/20 0.41
REN P00797 1/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL7435376 1.00 CTSK (0.52) CTSKCTSLCTSBCTSSCA1
SCHEMBL7435374 1.00 CTSK (0.52) CTSKCTSLCTSBCTSSCA1
SCHEMBL9556266 1.00 CTSK (0.52) CTSKCTSLCTSBCTSSCA1
SCHEMBL16480228 0.88 CTSK (0.49) CTSKCTSLCTSBCTSSCA1
SCHEMBL10545929 0.88 CTSK (0.49) CTSKCTSLCTSBCTSSCA1
SCHEMBL8034346 0.88 CTSK (0.49) CTSKCTSLCTSBCTSSCA1
SCHEMBL10549997 0.87 CTSK (0.48) CTSKCTSLCTSBCTSSCA1
SCHEMBL2192482 0.85 CTSK (0.49) CTSKCTSLCTSBCTSSCA1
SCHEMBL1922636 0.85 CTSK (0.47) CTSKCTSLCTSBCTSSCA1
SCHEMBL10420922 0.85 CTSK (0.47) CTSKCTSLCTSBCTSSCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587767-A1 HYDROXYAZIDO DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS SRI INTERNATIONAL (US) 1994-03-23 EP disclosed
US-5268361-A Containing amide groups SRI INTERNATIONAL (US) 1993-12-07 US disclosed
WO-1992021696-A1 HYDROXYAZIDO DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS SRI INTERNATIONAL (US) 1992-12-10 WO disclosed