SCHEMBL7369996

SCHEMBL7369996

CC(C)C[C@H](NC(=O)OCCC(C)(C)C)C(O)c1nccn1COCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.41
CTSS P25774 7/20 0.41
CTSL P07711 5/20 0.41
CTSB P07858 2/20 0.37
PSMB1 P20618 1/20 0.36

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
SCHEMBL7321491 0.88 PPARA (0.43) CTSKCTSSCTSL
SCHEMBL7369995 0.86 CTSK (0.40) CTSKCTSSCTSLPSMB1
SCHEMBL10522492 0.79 KLK5 (0.46) CTSKCTSSCTSLCTSB
SCHEMBL7314797 0.75 MAPT (0.41) CTSKCTSSCTSL
SCHEMBL7408571 0.74 MAPT (0.45)
SCHEMBL7362345 0.72 FPR2 (0.48) CTSS
SCHEMBL8876703 0.72 FPR2 (0.48) CTSS
SCHEMBL9641169 0.69 CTSS (0.41) CTSKCTSSCTSLCTSB
SCHEMBL7316845 0.69 CTSS (0.41) CTSKCTSSCTSLCTSB
SCHEMBL10242213 0.68 ATM (0.46) CTSKCTSSCTSLCTSB

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
US-4885292-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1989-12-05 US disclosed
EP-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 EP disclosed