SCHEMBL28807362

SCHEMBL28807362

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.39
▸ PPARA Q07869 7/20 0.39
▸ PPARD Q03181 6/20 0.39
▸ NFE2L2 Q16236 1/20 0.35
▸ FBP1 P09467 1/20 0.34
▸ PTGES2 Q9H7Z7 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 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
SCHEMBL27936057 0.88 PPARG (0.37) PPARGPPARAPPARDPTGES2
SCHEMBL28806426 0.87 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL27909994 0.86 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL27936024 0.85 PPARG (0.39) PPARGPPARAPPARD
SCHEMBL27950252 0.85 PPARG (0.38) PPARGPPARAPPARD
SCHEMBL27936046 0.83 PPARG (0.37) PPARGPPARAPPARDMAOAMAOB
SCHEMBL27950238 0.83 POLB (0.44) PPARGPPARAPPARDMAOAMAOB
SCHEMBL28809330 0.83 PPARG (0.37) PPARGPPARAPPARDMAOAMAOB
SCHEMBL27936050 0.83 PPARG (0.37) PPARGPPARAPPARD
SCHEMBL27936030 0.83 PPARG (0.37) PPARGPPARAPPARDMAOB

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
Send feedback