Sugi Predict

Sugi Predict / Compounds / SCHEMBL8366306

SCHEMBL8366306

SCHEMBL8366306

CC(C)(C)OC(=O)N[C@H](CCc1ccccc1)C(=O)OC[C@H](N)C(=O)O.COC(=O)[C@@H](CCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.56
▸ CTSS P25774 4/20 0.56
▸ PPARA Q07869 5/20 0.49
▸ KLK5 Q9Y337 1/20 0.48
▸ PPARG P37231 4/20 0.47
▸ ACE P12821 1/20 0.46
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ LNPEP Q9UIQ6 1/20 0.43
▸ PPARD Q03181 2/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ IDO1 P14902 1/20 0.43

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
Serine SCHEMBL7732130 0.90 CTSK (0.57) CTSKCTSSPPARAKLK5PPARG
SCHEMBL6344320 0.89 CTSK (0.68) CTSKCTSSPPARAKLK5PPARG
SCHEMBL12560624 0.89 CTSK (0.68) CTSKCTSSPPARAKLK5PPARG
SCHEMBL7032329 0.89 CTSK (0.68) CTSKCTSSPPARAKLK5PPARG
Serine SCHEMBL7723282 0.85 CTSK (0.56) CTSKCTSSPPARAPPARGACE
Serine SCHEMBL7734135 0.84 CTSK (0.55) CTSKCTSSPPARAKLK5PPARG
SCHEMBL28584296 0.82 CTSK (0.64) CTSKCTSSPPARAKLK5PPARG
SCHEMBL25054293 0.82 CTSK (0.61) CTSKCTSSPPARAKLK5PPARG
SCHEMBL3881683 0.82 CTSS (0.65) CTSKCTSSPPARAKLK5PPARG
SCHEMBL7300194 0.82 CTSK (0.60) CTSKCTSSPPARAKLK5PPARG

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
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 — — WO disclosed