SCHEMBL9514563

SCHEMBL9514563

CC(C)(C)OC(=O)[C@](O)(C(=O)O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.45
CTSS P25774 2/20 0.45
DPP4 P27487 2/20 0.36
SLC1A3 P43003 3/20 0.35
SLC1A2 P43004 3/20 0.35
SLC1A1 P43005 3/20 0.35
METAP2 P50579 2/20 0.34
METAP1 P53582 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL7336417 0.79 METAP2 (0.39) CTSKMETAP2CTSLCTSBEPHX1
SCHEMBL7327391 0.78 CTSK (0.52) CTSKCTSSAAK1CTSLCTSB
SCHEMBL7327404 0.78 CTSK (0.52) CTSKCTSSAAK1CTSLCTSB
SCHEMBL7337082 0.76 CTSK (0.50) CTSKCTSSAAK1CTSLCTSB
SCHEMBL7337101 0.76 CTSK (0.50) CTSKCTSSAAK1CTSLCTSB
SCHEMBL10448439 0.75 CTSK (0.41) CTSKCTSSSLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL7838394 0.74 METAP1 (0.41) CTSKCTSSDPP4SLC1A3SLC1A2
SCHEMBL27311716 0.73 CTSK (0.46) CTSKCTSSDPP4AAK1
SCHEMBL20244849 0.73 CTSK (0.45) CTSKCTSSSLC1A3SLC1A2SLC1A1
SCHEMBL22090642 0.73 CTSK (0.45) CTSKCTSSSLC1A3SLC1A2SLC1A1

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
EP-0266950-B1 Nor-statine and nor-cyclostatine polypeptides PFIZER (US) 1993-12-29 EP disclosed