SCHEMBL27909997

SCHEMBL27909997

C=CC(c1cccc(C(C)(C)C)c1)S(=O)(=O)n1c(C(CCC)C(=O)O)cc2cc(C(F)(F)F)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.35
▸ PPARA Q07869 7/20 0.35
▸ PPARD Q03181 5/20 0.35
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GCGR P47871 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ TAS1R3 Q7RTX0 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
SCHEMBL28806427 0.93 MEN1 (0.38) PPARGPPARAPPARDMEN1ALDH1A1
SCHEMBL27833813 0.91 PPARG (0.36) PPARGPPARAPPARDPSEN1PSEN2
SCHEMBL27833814 0.84 PPARG (0.37) PPARGPPARAPPARDPSEN1PSEN2
SCHEMBL27813772 0.83 PPARG (0.36) PPARGPPARAPPARDPSEN1PSEN2
SCHEMBL27950235 0.82 RXRA (0.34) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL27950350 0.79 PPARG (0.35) PPARGPPARAPPARDPOLBCYP3A4
SCHEMBL27936023 0.79 RORC (0.40) PPARGPPARAPPARDALDH1A1GCGR
SCHEMBL27733816 0.77 PPARG (0.39) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL28807361 0.76 PPARG (0.36) PPARGPPARAPPARD
SCHEMBL28947564 0.76 RORC (0.39) PPARGPPARAPPARDALDH1A1POLB

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-102112441-B Use of indole derivatives as NURR-1 activators for the treatment of parkinson's disease FOURNIER LAB S A 2013-07-10 — — CN disclosed
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