SCHEMBL7275095

SCHEMBL7275095

CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@H](O)c1ccc(C(=O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.50
CTSL P07711 5/20 0.47
CTSS P25774 4/20 0.47
CTSB P07858 4/20 0.47
PSMB1 P20618 1/20 0.45
ATM Q13315 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
REN P00797 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43

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
SCHEMBL7275098 1.00 CTSK (0.50) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL7275090 1.00 CTSK (0.50) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL4678519 0.88 CTSK (0.53) CTSKCTSLCTSSCTSBATM
SCHEMBL602597 0.83 ATM (0.56) CTSKCTSLCTSSCTSBATM
SCHEMBL6356795 0.81 CTSK (0.51) CTSKCTSLCTSSCTSBATM
SCHEMBL7270342 0.81 CA1 (0.43) CTSKCTSLCTSSCTSBREN
SCHEMBL7270348 0.81 CA1 (0.43) CTSKCTSLCTSSCTSBREN
SCHEMBL8353955 0.80 CTSK (0.62) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL14011286 0.78 CTSK (0.64) CTSKCTSLCTSSCTSBATM
SCHEMBL7292473 0.78 CTSK (0.60) CTSKCTSLCTSSCTSBPSMB1

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
US-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed
EP-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed