SCHEMBL10559587

SCHEMBL10559587

CC(C)CC(NC(=O)OCc1ccccc1)C(O)CC=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.55
CTSL P07711 5/20 0.52
CTSB P07858 5/20 0.52
CTSS P25774 3/20 0.52
REN P00797 1/20 0.52
PSMB1 P20618 2/20 0.50
ACE2 Q9BYF1 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB2 P49721 1/20 0.50

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
SCHEMBL3029758 0.85 CTSK (0.55) CTSKCTSLCTSBCTSSREN
SCHEMBL7293600 0.85 REN (0.58) CTSKCTSLCTSBCTSSREN
SCHEMBL10420156 0.85 REN (0.58) CTSKCTSLCTSBCTSSREN
SCHEMBL6502695 0.85 CTSK (0.57) CTSKCTSLCTSBCTSSREN
SCHEMBL3042936 0.85 CTSK (0.57) CTSKCTSLCTSBCTSSREN
SCHEMBL29865843 0.85 CTSK (0.57) CTSKCTSLCTSBCTSSREN
SCHEMBL3042938 0.85 CTSK (0.57) CTSKCTSLCTSBCTSSREN
SCHEMBL9970646 0.84 ATM (0.54) CTSKCTSLCTSBCTSS
SCHEMBL8353955 0.84 CTSK (0.62) CTSKCTSLCTSBCTSSPSMB1
SCHEMBL10570700 0.84 CTSK (0.54) CTSKCTSLCTSBCTSSREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 US disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP disclosed