SCHEMBL1407282

SCHEMBL1407282

O=C(O)Cc1c(C(=O)O)c2cc(Oc3cccc(C(F)(F)F)c3)ccc2n1-c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.50
PPARA Q07869 6/20 0.46
REN P00797 1/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
THRA P10827 1/20 0.40
THRB P10828 1/20 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
SCHEMBL334194 0.94 PPARG (0.45) PPARGPPARAAKR1C3AKR1C2
SCHEMBL4171314 0.89 PPARG (0.42) PPARGTHRATHRB
SCHEMBL333835 0.87 KDM4E (0.47) THRB
SCHEMBL333473 0.87 PPARG (0.60) PPARGPPARAAKR1C3AKR1C2
SCHEMBL333818 0.86 PPARG (0.52) PPARGPPARARENAKR1C3AKR1C2
SCHEMBL333845 0.85 PPARG (0.42) PPARGPPARATHRATHRB
SCHEMBL333817 0.85 PPARG (0.52) PPARGPPARARENAKR1C3AKR1C2
SCHEMBL333222 0.84 PPARG (0.47) PPARGPPARARENAKR1C3AKR1C2
SCHEMBL333682 0.84 PTGDR2 (0.46) PPARGPPARAAKR1C3AKR1C2
SCHEMBL333680 0.83 PTGES (0.45) PPARGPPARATHRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841735-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2011-03-09 EP disclosed
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed