SCHEMBL8909191

SCHEMBL8909191

NC(=O)OC(CC1CCCCC1)[C@H](O)C(O)CO

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
ALOX5 P09917 1/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
EPHX1 P07099 1/20 0.33
REN P00797 2/20 0.32
CTSH P09668 1/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
USP2 O75604 1/20 0.32
SLCO1B1 Q9Y6L6 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
SCHEMBL8910229 1.00 CTSK (0.34) CTSKMETAP2METAP1ALOX5CTSL
SCHEMBL8910237 1.00 CTSK (0.34) CTSKMETAP2METAP1ALOX5CTSL
SCHEMBL9556641 0.82 CTSK (0.40) CTSKCTSLCTSBRENCTSH
SCHEMBL9219308 0.82 EPHX1 (0.39) CTSKMETAP2METAP1ALOX5CTSL
SCHEMBL9556645 0.82 CTSK (0.40) CTSKCTSLCTSBRENCTSH
SCHEMBL9219298 0.82 EPHX1 (0.39) CTSKMETAP2METAP1ALOX5CTSL
SCHEMBL9224171 0.82 CTSK (0.40) CTSKCTSLCTSBRENCTSH
SCHEMBL9224178 0.82 CTSK (0.40) CTSKCTSLCTSBRENCTSH
SCHEMBL9226123 0.79 CTSK (0.35) CTSKMETAP2CTSLCTSBREN
SCHEMBL9226116 0.79 CTSK (0.35) CTSKMETAP2CTSLCTSBREN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed