SCHEMBL27950253

SCHEMBL27950253

COc1ccc(C(=O)O)cc1Cc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)CC=Cc1cccc(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.43
▸ PPARA Q07869 6/20 0.39
▸ PPARD Q03181 5/20 0.39
▸ MAOB P27338 1/20 0.37
▸ ERAP1 Q9NZ08 5/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ ERAP2 Q6P179 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ABCB1 P08183 1/20 0.33
▸ ALOX5 P09917 1/20 0.33

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
SCHEMBL27936030 0.90 PPARG (0.37) PPARGPPARAPPARDMAOB
SCHEMBL27936038 0.89 PPARG (0.38) PPARGPPARAPPARDMAOBKDM4E
SCHEMBL27950242 0.89 PPARG (0.38) PPARGPPARAPPARDMAOB
SCHEMBL27950300 0.88 PPARG (0.40) PPARGPPARAPPARDMAOB
SCHEMBL27936024 0.87 PPARG (0.39) PPARGPPARAPPARD
SCHEMBL28807352 0.87 PPARG (0.43) PPARGPPARAPPARDMAOBABCB1
SCHEMBL27950252 0.86 PPARG (0.38) PPARGPPARAPPARD
SCHEMBL12096772 0.84 PPARG (0.54) PPARGPPARAPPARDERAP1PTGDR2
Piperazine SCHEMBL27950239 0.83 PPARG (0.36) PPARGPPARAPPARDMAOB
SCHEMBL27936050 0.83 PPARG (0.37) 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
CN-103554006-A Use of indole derivatives as nurr-1 activators for the application thereof as a medicament for the treatment of parkinson's disease FOURNIER LAB SA 2014-02-05 — — CN disclosed
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