SCHEMBL28800053

SCHEMBL28800053

CN1CCOc2ccc(C=CCS(=O)(=O)n3c(Cc4cc(C(=O)O)co4)cc4cc(C(F)(F)F)ccc43)cc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 8/20 0.40
▸ PPARA Q07869 7/20 0.40
▸ PPARD Q03181 6/20 0.40
▸ RORC P51449 2/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ PAX8 Q06710 1/20 0.31

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
SCHEMBL28800055 0.89 PPARG (0.40) PPARGPPARAPPARDRORC
SCHEMBL27884208 0.88 PPARG (0.39) PPARGPPARAPPARDRORC
SCHEMBL12096761 0.86 PPARG (0.54) PPARGPPARAPPARDRORCKMT2A
SCHEMBL27867748 0.85 PPARG (0.39) PPARGPPARAPPARDRORC
SCHEMBL27867762 0.85 PPARG (0.41) PPARGPPARAPPARDRORCKMT2A
SCHEMBL27867730 0.84 PPARG (0.41) PPARGPPARAPPARDRORC
SCHEMBL27867794 0.84 PPARG (0.39) PPARGPPARAPPARDRORC
SCHEMBL27867749 0.84 PPARG (0.38) PPARGPPARAPPARDRORC
SCHEMBL27875925 0.78 PPARG (0.37) PPARGPPARAPPARDRORC
SCHEMBL27892484 0.78 TRPM8 (0.34) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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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