SCHEMBL27833811

SCHEMBL27833811

CC(C)c1cccc(C=CCS(=O)(=O)n2c(CCCCC(=O)O)cc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 17/20 0.54
▸ PPARA Q07869 14/20 0.54
▸ PPARD Q03181 11/20 0.51
▸ RORC P51449 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.34
▸ EPOR P19235 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
SCHEMBL27833812 0.98 PPARG (0.56) PPARGPPARAPPARDRORCFFAR4
Piperazine SCHEMBL27813776 0.93 PPARG (0.52) PPARGPPARAPPARDRORCFFAR4
SCHEMBL27909994 0.89 PPARG (0.55) PPARGPPARAPPARDRORCEPOR
SCHEMBL28806426 0.86 PPARG (0.58) PPARGPPARAPPARDRORCEPOR
SCHEMBL27833763 0.85 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL27867715 0.83 RORC (0.40) PPARGPPARAPPARDRORC
SCHEMBL2216331 0.82 PPARG (0.73) PPARGPPARAPPARDRORC
SCHEMBL2212804 0.80 PPARG (0.77) PPARGPPARAPPARDRORC
SCHEMBL27733815 0.78 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL27713320 0.78 PPARG (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102112441-B Use of indole derivatives as NURR-1 activators for the treatment of parkinson's disease FOURNIER LAB S A 2013-07-10 — — CN disclosed
CN-102112441-A Use of indole derivatives as NURR-1 activators for the treatment of parkinson's disease FOURNIER LAB S A 2011-06-29 — — CN disclosed
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