SCHEMBL14097367

SCHEMBL14097367

C=C(C)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]3OCC(=O)[C@H]32)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.55
CTSS P25774 4/20 0.53
CTSV O60911 3/20 0.53
CTSL P07711 3/20 0.53
ACE P12821 1/20 0.45
ACE2 Q9BYF1 1/20 0.44
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL14097704 0.95 CTSK (0.61) CTSKCTSSCTSVCTSLACE
SCHEMBL4452824 0.90 CTSK (0.57) CTSKCTSSCTSVCTSLACE
SCHEMBL7098946 0.90 CTSK (0.69) CTSKCTSSCTSVCTSLACE
SCHEMBL4452626 0.90 CTSK (0.69) CTSKCTSSCTSVCTSLACE
SCHEMBL4458963 0.90 CTSK (0.69) CTSKCTSSCTSVCTSLACE
SCHEMBL13677291 0.90 CTSK (0.69) CTSKCTSSCTSVCTSLACE
SCHEMBL4454257 0.90 CTSK (0.54) CTSKCTSSCTSVCTSLACE
SCHEMBL13677368 0.89 CTSS (0.66) CTSKCTSSCTSVCTSLACE
SCHEMBL4452911 0.89 CTSS (0.66) CTSKCTSSCTSVCTSLACE
SCHEMBL13677366 0.89 CTSS (0.66) CTSKCTSSCTSVCTSLACE

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-7425562-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD. (GB) 2008-09-16 US disclosed