SCHEMBL8396408

SCHEMBL8396408

Cc1ccccc1C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]([C]=O)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.47
CTSK P43235 9/20 0.47
SCN9A Q15858 4/20 0.44
CTSL P07711 3/20 0.44
CTSB P07858 1/20 0.44
CACNA1B Q00975 1/20 0.42
REN P00797 2/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL8398313 0.85 CTSS (0.48) CTSSCTSKSCN9ACTSLCTSB
SCHEMBL8397274 0.81 CTSS (0.53) CTSSCTSKSCN9ACTSLCTSB
SCHEMBL8398617 0.79 CTSS (0.53) CTSSCTSKCTSLCTSBMAPT
SCHEMBL8395483 0.76 CTSK (0.46) CTSSCTSKCTSLCTSBCACNA1B
SCHEMBL8133157 0.76 REN (0.56) CTSKREN
SCHEMBL8133154 0.76 REN (0.56) CTSKREN
SCHEMBL269929 0.75 ACE (0.58) CTSSCTSKSCN9ACTSLCTSB
SCHEMBL873556 0.75 ACE (0.58) CTSSCTSKSCN9ACTSLCTSB
SCHEMBL269930 0.75 ACE (0.58) CTSSCTSKSCN9ACTSLCTSB
SCHEMBL268270 0.74 CTSS (0.57) CTSSCTSKCTSLCTSBMAPT

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-5866684-A Peptidyl inhibitors of viral proteases HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed