SCHEMBL7218496

SCHEMBL7218496

CCOC(C)O[C@H](C(=O)O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
CTSS P25774 2/20 0.45
ATM Q13315 1/20 0.42
MAPT P10636 1/20 0.40
PPARA Q07869 5/20 0.40
PPARG P37231 4/20 0.40
ACE P12821 1/20 0.39
PPARD Q03181 2/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL3782920 1.00 CTSK (0.45) CTSKCTSSATMMAPTPPARA
SCHEMBL8529886 1.00 CTSK (0.45) CTSKCTSSATMMAPTPPARA
SCHEMBL9293004 1.00 CTSK (0.45) CTSKCTSSATMMAPTPPARA
SCHEMBL10463737 0.91 CTSK (0.43) CTSKCTSSATMMAPT
SCHEMBL8911849 0.91 CTSK (0.43) CTSKCTSSATMMAPTPPARA
SCHEMBL8911855 0.88 CTSK (0.41) CTSKCTSSATMMAPTPPARA
SCHEMBL7065105 0.87 CTSK (0.41) CTSKCTSSATMPPARAPPARG
SCHEMBL9292986 0.83 MAPT (0.45) CTSKCTSSATMMAPTAKT1
SCHEMBL9293035 0.82 ALDH1A1 (0.51)
SCHEMBL8314307 0.82 ALDH1A1 (0.51)

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-6596880-B1 Esterification of baccatine derivative AVENTIS PHARMA S.A. (FR) 2003-07-22 US disclosed