SCHEMBL9518121

SCHEMBL9518121

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.52
CTSS P25774 2/20 0.52
AAK1 Q2M2I8 2/20 0.44
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
EPHX1 P07099 1/20 0.39
CACNA1B Q00975 2/20 0.39
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
REN P00797 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9518127 1.00 CTSK (0.52) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL12203697 0.80 CTSK (0.59) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL14152764 0.79 CTSK (0.53) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL14152762 0.79 CTSK (0.53) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL3524258 0.77 CTSK (0.59) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL23118362 0.77 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL1424546 0.77 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL21119399 0.77 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL21427217 0.77 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL5063217 0.77 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1

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
EP-0266950-B1 Nor-statine and nor-cyclostatine polypeptides PFIZER (US) 1993-12-29 EP disclosed
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
EP-0266950-A2 Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1988-05-11 EP disclosed