SCHEMBL27950301

SCHEMBL27950301

CC(C)(C)c1cccc(C=CCS(=O)(=O)n2c(Cc3ccc(F)c(C(=O)O)c3)cc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.37
▸ PPARA Q07869 7/20 0.37
▸ PPARD Q03181 6/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ PTGER1 P34995 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
SCHEMBL28807352 0.90 PPARG (0.43) PPARGPPARAPPARDRORCMAOB
SCHEMBL28807364 0.90 PPARG (0.38) PPARGPPARAPPARDRORCMAOA
SCHEMBL27936024 0.89 PPARG (0.39) PPARGPPARAPPARDRORC
SCHEMBL27950252 0.88 PPARG (0.38) PPARGPPARAPPARDMRGPRX4RORC
SCHEMBL27936030 0.86 PPARG (0.37) PPARGPPARAPPARDRORCMAOB
SCHEMBL27936050 0.86 PPARG (0.37) PPARGPPARAPPARDMRGPRX4RORC
SCHEMBL27950238 0.85 POLB (0.44) PPARGPPARAPPARDRORCMAOA
Piperazine SCHEMBL27950239 0.85 PPARG (0.36) PPARGPPARAPPARDRORCMAOA
SCHEMBL28809330 0.85 PPARG (0.37) PPARGPPARAPPARDRORCMAOA
SCHEMBL27950242 0.85 PPARG (0.38) PPARGPPARAPPARDRORCMAOB

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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