SCHEMBL7360310

SCHEMBL7360310

CC(C)(C)N(C(=O)O)C(CC1CCCCC1)C1CCC(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.35
ATM Q13315 1/20 0.34
PRKCA P17252 3/20 0.33
CTSL P07711 3/20 0.32
CTSB P07858 3/20 0.32
CTSH P09668 2/20 0.32
CTSS P25774 2/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 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
SCHEMBL969953 0.82 CTSK (0.36) CTSKATMCTSLCTSBCTSH
SCHEMBL970772 0.82 CTSK (0.36) CTSKATMCTSLCTSBCTSH
SCHEMBL7364108 0.79 CTSK (0.33) CTSKATMCTSLCTSBCTSH
SCHEMBL2443112 0.77 MEN1 (0.35) CTSKPRKCACTSLCTSB
SCHEMBL7363475 0.76 CTSS (0.30) CTSS
SCHEMBL7364034 0.76 CTSS (0.30) CTSS
SCHEMBL7360069 0.74 ATM (0.39) CTSKATMCTSLCTSBCTSS
SCHEMBL7319609 0.74
SCHEMBL7289613 0.70 GRN (0.35) CTSKPRKCACTSLCTSBCTSS
SCHEMBL8827086 0.70 GRN (0.35) CTSKPRKCACTSLCTSBCTSS

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-0270234-A2 Renin inhibitors PFIZER INC. (US) 1988-06-08 EP disclosed
WO-1988003022-A1 RELATIVELY LOW MOLECULAR WEIGHT POLYPEPTIDES AS RENIN INHIBITORS PFIZER INC. (US) 1988-05-05 WO disclosed