SCHEMBL28800059

SCHEMBL28800059

CC(C)c1ccc(C=CCS(=O)(=O)n2c(Cc3ccc(C(=O)O)c(O)c3)cc3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.36
▸ PPARA Q07869 8/20 0.36
▸ PPARD Q03181 7/20 0.36
▸ RORC P51449 3/20 0.34
▸ CCR2 P41597 1/20 0.33
▸ PTGER4 P35408 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL27884298 0.93 PPARG (0.36) PPARGPPARAPPARDRORCCCR2
SCHEMBL27867734 0.92 CCR2 (0.39) PPARGPPARAPPARDRORCCCR2
SCHEMBL28800067 0.89 RORC (0.40) PPARGPPARAPPARDRORCCCR2
SCHEMBL28946031 0.89 ACLY (0.35) PPARGPPARAPPARDMEN1ALDH1A1
SCHEMBL12096899 0.85 PPARG (0.51) PPARGPPARAPPARDRORCCCR2
SCHEMBL28946335 0.85 PPARG (0.36) PPARGPPARAPPARDRORCCCR2
SCHEMBL27884203 0.83 PPARG (0.34) PPARGPPARAPPARDCCR2
SCHEMBL27867800 0.83 PPARG (0.38) PPARGPPARAPPARDRORC
SCHEMBL28800079 0.82 PPARG (0.36) PPARGPPARAPPARDRORCCCR2
SCHEMBL27867715 0.81 RORC (0.40) PPARGPPARAPPARDRORCPTGER4

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 2 patents. 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
CN-102596906-A Use of indole derivatives as NURR-1 activators as agents for the treatment of Parkinson's disease FOURNIER LAB SA 2012-07-18 — — CN disclosed
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