SCHEMBL9219308

SCHEMBL9219308

NC(=O)O[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.39
CPB2 Q96IY4 1/20 0.34
CTSK P43235 2/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX5 P09917 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 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
SCHEMBL9219298 1.00 EPHX1 (0.39) EPHX1CPB2CTSKMETAP2METAP1
SCHEMBL9224178 0.82 CTSK (0.40) CPB2CTSKCTSLCTSB
SCHEMBL9556645 0.82 CTSK (0.40) CPB2CTSKCTSLCTSB
SCHEMBL9556641 0.82 CTSK (0.40) CPB2CTSKCTSLCTSB
SCHEMBL8910237 0.82 CTSK (0.34) EPHX1CTSKMETAP2METAP1ALOX5
SCHEMBL8910229 0.82 CTSK (0.34) EPHX1CTSKMETAP2METAP1ALOX5
SCHEMBL9224171 0.82 CTSK (0.40) CPB2CTSKCTSLCTSB
SCHEMBL8909191 0.82 CTSK (0.34) EPHX1CTSKMETAP2METAP1ALOX5
SCHEMBL9226123 0.79 CTSK (0.35) CTSKMETAP2KMT2ACTSLCTSB
SCHEMBL9226116 0.79 CTSK (0.35) CTSKMETAP2KMT2ACTSLCTSB

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