SCHEMBL7369995

SCHEMBL7369995

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.40
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
AAK1 Q2M2I8 1/20 0.35
PSMB5 P28074 2/20 0.34
LMNA P02545 1/20 0.34
REN P00797 2/20 0.34
MAPT P10636 1/20 0.33
PSMB1 P20618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSD P07339 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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 0.89 PPARA (0.43) CTSKCTSLCTSSREN
SCHEMBL7369996 0.86 CTSK (0.41) CTSKCTSLCTSSPSMB1
SCHEMBL10522492 0.80 KLK5 (0.46) CTSKCTSLCTSS
SCHEMBL7408571 0.77 MAPT (0.45) LMNAMAPTTDP1CYP1A2CYP2D6
SCHEMBL7314797 0.77 MAPT (0.41) CTSKCTSLCTSSLMNAMAPT
SCHEMBL7362345 0.75 FPR2 (0.48) CTSSLMNAMAPT
SCHEMBL8876703 0.75 FPR2 (0.48) CTSSLMNAMAPT
SCHEMBL7316845 0.70 CTSS (0.41) CTSKCTSLCTSSREN
SCHEMBL9641169 0.70 CTSS (0.41) CTSKCTSLCTSSREN
SCHEMBL9271695 0.70 HMOX1 (0.41) LMNAMAPTTDP1CYP1A2CYP2D6

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