SCHEMBL4648418

SCHEMBL4648418

O=C(CCCC1CC1)NCCCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.62
PPARA Q07869 1/20 0.59

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
SCHEMBL4646114 0.98 PPARG (0.62) PPARGPPARA
SCHEMBL4648150 0.93 PPARG (0.56) PPARGPPARA
SCHEMBL4647808 0.88 PPARG (0.73) PPARGPPARA
SCHEMBL4647037 0.87 PPARG (0.71) PPARGPPARA
SCHEMBL4645340 0.87 PPARG (0.71) PPARGPPARA
SCHEMBL4742649 0.86 PPARG (0.70) PPARGPPARA
SCHEMBL4646017 0.86 PPARG (0.70) PPARGPPARA
SCHEMBL4744741 0.86 PPARG (0.70) PPARGPPARA
SCHEMBL4643155 0.86 PPARG (0.70) PPARGPPARA
SCHEMBL4648709 0.86 PPARG (0.73) PPARGPPARA

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-1778624-B1 TYROSINE DERIVATIVES AS PPAR-GAMMA-MODULATORS SALVAT LAB SA (ES) 2008-08-20 EP disclosed