SCHEMBL7958486

SCHEMBL7958486

CC(C)(C)OC(=O)CC(C(=O)O)C1CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.40
ECE1 P42892 5/20 0.39
FFAR1 O14842 2/20 0.38
PPARG P37231 7/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL7958217 1.00 PPARA (0.40) PPARAECE1FFAR1PPARGDRD2
SCHEMBL23771659 1.00 PPARA (0.40) PPARAECE1FFAR1PPARGDRD2
SCHEMBL22036215 1.00 PPARA (0.40) PPARAECE1FFAR1PPARGDRD2
SCHEMBL22035427 1.00 PPARA (0.40) PPARAECE1FFAR1PPARGDRD2
SCHEMBL1915907 1.00 PPARA (0.40) PPARAECE1FFAR1PPARGDRD2
SCHEMBL23699239 0.82 DRD2 (0.45) PPARAECE1DRD2
SCHEMBL7956194 0.82 CYP1A2 (0.53) PPARAECE1FFAR1PPARG
SCHEMBL7956197 0.82 CYP1A2 (0.53) PPARAECE1FFAR1PPARG
SCHEMBL23751360 0.81 FFAR1 (0.42) PPARAFFAR1PPARG
SCHEMBL22036314 0.81 FFAR1 (0.42) PPARAFFAR1PPARG

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-6262060-B1 TREATMENT OF HYPERGLYCAEMIA, DIABETES, OBESITY OR INFLAMMATION SANOFI-SYNTHELABO (FR) 2001-07-17 US disclosed