SCHEMBL9224178

SCHEMBL9224178

CC(C)[C@H](O)[C@H](O)[C@H](CC1CCCCC1)OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.40
CTSL P07711 6/20 0.38
CTSB P07858 6/20 0.38
CTSH P09668 4/20 0.37
REN P00797 1/20 0.34
CPB2 Q96IY4 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL9556645 1.00 CTSK (0.40) CTSKCTSLCTSBCTSHREN
SCHEMBL9556641 1.00 CTSK (0.40) CTSKCTSLCTSBCTSHREN
SCHEMBL9224171 1.00 CTSK (0.40) CTSKCTSLCTSBCTSHREN
SCHEMBL9226116 0.85 CTSK (0.35) CTSKCTSLCTSBCTSHREN
SCHEMBL9226123 0.85 CTSK (0.35) CTSKCTSLCTSBCTSHREN
SCHEMBL9219298 0.82 EPHX1 (0.39) CTSKCTSLCTSBCPB2
SCHEMBL8909191 0.82 CTSK (0.34) CTSKCTSLCTSBCTSHREN
SCHEMBL8910229 0.82 CTSK (0.34) CTSKCTSLCTSBCTSHREN
SCHEMBL9219308 0.82 EPHX1 (0.39) CTSKCTSLCTSBCPB2
SCHEMBL8910237 0.82 CTSK (0.34) CTSKCTSLCTSBCTSHREN

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-5389616-A Renin inhibitor, hypotensive agent HOFFMAN-LAROCHE INC. (US) 1995-02-14 US disclosed
US-5256645-A Renin inhibitors; hypotensive agents HOFFMANN-LA ROCHE INC. (US) 1993-10-26 US disclosed
US-5134123-A Renin enzyme inhibitors for cardiovascular disorders and high blood pressure HOFFMAN-LA ROCHE INC. (US) 1992-07-28 US disclosed