SCHEMBL28807364

SCHEMBL28807364

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.38
▸ PPARA Q07869 7/20 0.38
▸ PPARD Q03181 6/20 0.38
▸ CCR2 P41597 2/20 0.38
▸ NR1H4 Q96RI1 1/20 0.36
▸ RORC P51449 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL27950301 0.90 PPARG (0.37) PPARGPPARAPPARDRORCMAOA
SCHEMBL27936024 0.88 PPARG (0.39) PPARGPPARAPPARDRORCMEN1
SCHEMBL28807352 0.88 PPARG (0.43) PPARGPPARAPPARDRORCMAOB
SCHEMBL27950252 0.88 PPARG (0.38) PPARGPPARAPPARDNR1H4RORC
SCHEMBL27867734 0.86 CCR2 (0.39) PPARGPPARAPPARDCCR2NR1H4
SCHEMBL27950300 0.85 PPARG (0.40) PPARGPPARAPPARDCCR2NR1H4
SCHEMBL27950238 0.85 POLB (0.44) PPARGPPARAPPARDRORCKMT2A
Piperazine SCHEMBL27950239 0.84 PPARG (0.36) PPARGPPARAPPARDRORCMEN1
SCHEMBL28809330 0.84 PPARG (0.37) PPARGPPARAPPARDRORCMAOA
SCHEMBL27936050 0.84 PPARG (0.37) PPARGPPARAPPARDRORC

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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