SCHEMBL27936050

SCHEMBL27936050

CC(C)(C)c1cccc(C=CCS(=O)(=O)n2c(Cc3cc(F)cc(C(=O)O)c3)cc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.37
▸ PPARA Q07869 7/20 0.37
▸ PPARD Q03181 6/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ RORC P51449 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.32
▸ ACLY P53396 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL27950252 0.92 PPARG (0.38) PPARGPPARAPPARDMRGPRX4RORC
SCHEMBL27936024 0.91 PPARG (0.39) PPARGPPARAPPARDRORCNLRP3
SCHEMBL27936025 0.89 PPARG (0.36) PPARGPPARAPPARDRORCNLRP3
Piperazine SCHEMBL27950239 0.87 PPARG (0.36) PPARGPPARAPPARDRORCNLRP3
SCHEMBL27936030 0.86 PPARG (0.37) PPARGPPARAPPARDRORCACLY
SCHEMBL27950242 0.86 PPARG (0.38) PPARGPPARAPPARDRORC
SCHEMBL27950301 0.86 PPARG (0.37) PPARGPPARAPPARDMRGPRX4RORC
SCHEMBL28809330 0.85 PPARG (0.37) PPARGPPARAPPARDRORC
SCHEMBL27936038 0.85 PPARG (0.38) PPARGPPARAPPARD
SCHEMBL28810371 0.84 MEN1 (0.36) PPARGRORCNLRP3ALDH1A1

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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