SCHEMBL9819679

SCHEMBL9819679

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.57
CTSK P43235 2/20 0.57
REN P00797 13/20 0.45
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43
AAK1 Q2M2I8 2/20 0.43
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL9819695 0.87 CTSS (0.56) CTSSCTSKRENCTSDCTSE
SCHEMBL7872157 0.87 CTSS (0.56) CTSSCTSKRENCTSDCTSE
SCHEMBL5847958 0.87 CTSS (0.56) CTSSCTSKRENCTSDCTSE
SCHEMBL13134807 0.87 CTSS (0.56) CTSSCTSKRENCTSDCTSE
SCHEMBL10407741 0.87 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL7311968 0.87 CTSS (0.56) CTSSCTSKRENCTSDCTSE
SCHEMBL7401954 0.87 CTSS (0.56) CTSSCTSKRENCTSDCTSE
SCHEMBL9515615 0.86 CTSS (0.52) CTSSCTSKRENCTSDCTSE
SCHEMBL8621724 0.86 CTSS (0.52) CTSSCTSKRENCTSDCTSE
SCHEMBL13134798 0.86 CTSS (0.52) CTSSCTSKRENCTSDCTSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5034376-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1991-07-23 US disclosed
US-4935405-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1990-06-19 US disclosed
US-4814342-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1989-03-21 US disclosed
EP-0266950-A2 Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1988-05-11 EP disclosed