SCHEMBL27936046

SCHEMBL27936046

CC(C)(C)c1cccc(C=CCS(=O)(=O)n2c(Cc3ccc(C(=O)O)s3)cc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 10/20 0.37
▸ PPARA Q07869 8/20 0.37
▸ PPARD Q03181 7/20 0.36
▸ ITK Q08881 1/20 0.33
▸ MAOA P21397 2/20 0.32
▸ MAOB P27338 2/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL27950296 0.93 PPARG (0.37) PPARGPPARAPPARDITKMAOB
SCHEMBL28809330 0.87 PPARG (0.37) PPARGPPARAPPARDITKMAOA
SCHEMBL27950247 0.87 ITK (0.36) PPARGPPARAPPARDITKTP53
SCHEMBL27936040 0.85 ITK (0.33) PPARGPPARAITKMAOAMAOB
SCHEMBL28800079 0.85 PPARG (0.36) PPARGPPARAPPARDMAOAMAOB
SCHEMBL27936024 0.85 PPARG (0.39) PPARGPPARAPPARD
SCHEMBL28807369 0.85 PPARG (0.34) PPARGPPARAPPARDITKTP53
SCHEMBL27936037 0.85 PPARG (0.34) PPARGPPARAPPARDITKTP53
SCHEMBL27950238 0.85 POLB (0.44) PPARGPPARAPPARDMAOAMAOB
SCHEMBL27950249 0.85 PPARG (0.34) PPARGPPARAPPARDITKTP53

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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