SCHEMBL8397274

SCHEMBL8397274

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.53
CTSK P43235 16/20 0.53
CTSL P07711 3/20 0.50
CTSB P07858 3/20 0.50
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.43
SCN9A Q15858 1/20 0.42

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
SCHEMBL8398617 0.86 CTSS (0.53) CTSSCTSKCTSLCTSBMAPT
SCHEMBL269930 0.82 ACE (0.58) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL269929 0.82 ACE (0.58) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL873556 0.82 ACE (0.58) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL8396408 0.81 CTSS (0.47) CTSSCTSKCTSLCTSBMAPT
SCHEMBL8398398 0.81 MDM4 (0.43) TP53
SCHEMBL268270 0.81 CTSS (0.57) CTSSCTSKCTSLCTSBMAPT
SCHEMBL8398313 0.80 CTSS (0.48) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL8399891 0.78 DPP4 (0.41)
SCHEMBL16458597 0.78 CTSS (0.48) 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