SCHEMBL27950297

SCHEMBL27950297

O=C(O)c1ccc(CCc2cc3cc(C(F)(F)F)ccc3n2S(=O)(=O)c2cccc(C3CC3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 12/20 0.54
▸ PPARA Q07869 11/20 0.54
▸ PPARD Q03181 9/20 0.54
▸ USP5 P45974 1/20 0.44
▸ GALK1 P51570 1/20 0.41
▸ PTGER4 P35408 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ RORC P51449 1/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL12096624 0.92 PPARG (0.51) PPARGPPARAPPARDUSP5GALK1
SCHEMBL12096906 0.83 PPARG (0.50) PPARGPPARAPPARDUSP5CNR1
SCHEMBL12096720 0.78 PPARG (0.54) PPARGPPARAPPARDGALK1RORC
SCHEMBL12096795 0.78 PPARG (0.54) PPARGPPARAPPARDGALK1RORC
SCHEMBL12096901 0.78 PPARG (0.68) PPARGPPARAPPARD
SCHEMBL12096713 0.77 PPARG (0.53) PPARGPPARAPPARDRORC
SCHEMBL12096612 0.76 PPARG (0.70) PPARGPPARAPPARDRORC
SCHEMBL12096644 0.76 PPARG (0.70) PPARGPPARAPPARDPTGER2RORC
SCHEMBL12096722 0.76 PPARG (0.52) PPARGPPARAPPARDGALK1RORC
SCHEMBL12096657 0.75 PPARG (0.53) 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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