SCHEMBL6822804

SCHEMBL6822804

CCOC(=O)[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)c(Cc2ccccc2)c1)OCC

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.59
PPARA Q07869 12/20 0.59
PTGES O14684 2/20 0.44
ALOX5 P09917 2/20 0.44
ESR1 P03372 1/20 0.42
PPARD Q03181 5/20 0.40

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
SCHEMBL6819715 1.00 PPARG (0.59) PPARGPPARAPTGESALOX5ESR1
SCHEMBL6819587 1.00 PPARG (0.59) PPARGPPARAPTGESALOX5ESR1
SCHEMBL6819104 0.93 PPARG (0.59) PPARGPPARAPTGESALOX5PPARD
SCHEMBL6819491 0.93 PPARG (0.69) PPARGPPARAPTGESALOX5PPARD
SCHEMBL6819926 0.93 PPARG (0.69) PPARGPPARAPTGESALOX5PPARD
SCHEMBL6818869 0.93 PPARG (0.69) PPARGPPARAPTGESALOX5PPARD
SCHEMBL6818705 0.86 PPARA (0.63) PPARGPPARAPPARD
SCHEMBL6815781 0.86 PPARA (0.69) PPARGPPARAPTGESALOX5PPARD
SCHEMBL6822848 0.85 PPARG (0.56) PPARGPPARAPTGESALOX5PPARD
SCHEMBL6819532 0.84 PPARG (0.61) PPARGPPARAPPARD

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-1237856-B1 NEW TRI-SUBSTITUTED PHENYL DERIVATIVES AND ANALOGUES ASTRAZENECA AB (SE) 2004-05-12 EP claimed