SCHEMBL28800079

SCHEMBL28800079

CC(C)c1ccc(C=CCS(=O)(=O)n2c(Cc3ccc(C(=O)O)s3)cc3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.36
▸ PPARA Q07869 8/20 0.36
▸ PPARD Q03181 7/20 0.36
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CCR2 P41597 1/20 0.30
▸ RORC P51449 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ PHGDH O43175 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
SCHEMBL28946335 0.87 PPARG (0.36) PPARGPPARAPPARDCCR2RORC
SCHEMBL27936046 0.85 PPARG (0.37) PPARGPPARAPPARDMAOAMAOB
SCHEMBL28800067 0.85 RORC (0.40) PPARGPPARAPPARDCCR2RORC
SCHEMBL12096630 0.84 PPARG (0.51) PPARGPPARAPPARDRORCPHGDH
SCHEMBL27867800 0.83 PPARG (0.38) PPARGPPARAPPARDRORCPHGDH
SCHEMBL27867748 0.83 PPARG (0.39) PPARGPPARAPPARDRORC
SCHEMBL27884298 0.83 PPARG (0.36) PPARGPPARAPPARDCCR2RORC
SCHEMBL28800059 0.82 PPARG (0.36) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL27867734 0.82 CCR2 (0.39) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL27950296 0.79 PPARG (0.37) PPARGPPARAPPARDMEN1KMT2A

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 4 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 claimed
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 claimed
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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