SCHEMBL27936038

SCHEMBL27936038

Cc1cc(C(=O)O)ccc1Cc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)CC=Cc1cccc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 8/20 0.38
▸ PPARA Q07869 7/20 0.38
▸ PPARD Q03181 6/20 0.38
▸ EPHX2 P34913 1/20 0.36
▸ CPT2 P23786 1/20 0.33
▸ CPT1A P50416 1/20 0.33
▸ CPT1B Q92523 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ P4HB P07237 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL27950242 0.92 PPARG (0.38) PPARGPPARAPPARDEPHX2MEN1
SCHEMBL27950300 0.92 PPARG (0.40) PPARGPPARAPPARDEPHX2MEN1
SCHEMBL27936030 0.91 PPARG (0.37) PPARGPPARAPPARDEPHX2MEN1
SCHEMBL27936024 0.89 PPARG (0.39) PPARGPPARAPPARDMEN1NPC1
SCHEMBL27950253 0.89 PPARG (0.43) PPARGPPARAPPARDMAOBKDM4E
SCHEMBL27950252 0.88 PPARG (0.38) PPARGPPARAPPARDMEN1KMT2A
Piperazine SCHEMBL27950239 0.85 PPARG (0.36) PPARGPPARAPPARDMEN1NPC1
SCHEMBL27936050 0.85 PPARG (0.37) PPARGPPARAPPARD
SCHEMBL27936025 0.84 PPARG (0.36) PPARGPPARAPPARDP4HB
SCHEMBL12096692 0.83 PPARG (0.52) PPARGPPARAPPARDEPHX2

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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