SCHEMBL5504469

SCHEMBL5504469

O=C(O)Cc1[nH]c2ccc(Oc3ccc(C(F)(F)F)cc3)c(-c3ccc(OC(F)(F)F)cc3)c2c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.41
THRB P10828 2/20 0.37
SCN8A Q9UQD0 2/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
FFAR1 O14842 1/20 0.35
GPR35 Q9HC97 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PPARA Q07869 1/20 0.34
SERPINE1 P05121 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL5507776 0.91 RXRA (0.42) PPARDTHRBFFAR1PPARA
SCHEMBL5507450 0.90 PTGDR2 (0.40) PPARDTHRBFFAR1SLC6A2SLC6A4
SCHEMBL5505765 0.90 PTGDR2 (0.44) PPARDTHRBSCN8ASCN10AFFAR1
SCHEMBL5502236 0.88 FFAR1 (0.38) PPARDTHRBFFAR1PTGDR2PPARA
SCHEMBL5506365 0.86 LGALS8 (0.41) PPARDTHRBTRPV1FFAR1PTGDR2
SCHEMBL5505100 0.84 THRA (0.41) PPARDTHRBTRPV1FFAR1PTGDR2
SCHEMBL5510893 0.83 PPARD (0.39) PPARDSCN8ASCN10ASLC6A2SLC6A4
SCHEMBL5267628 0.81 PPARD (0.39) PPARDFFAR1PPARA
SCHEMBL5502243 0.80 GCK (0.40) PPARDTHRBPTGDR2
SCHEMBL5517204 0.79 TOP1 (0.34) PPARDSCN8ASCN10APTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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