SCHEMBL27833814

SCHEMBL27833814

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 10/20 0.37
▸ PPARA Q07869 7/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PPARD Q03181 6/20 0.36
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C2 P52895 2/20 0.33
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ PHGDH O43175 1/20 0.32

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
SCHEMBL27813772 0.99 PPARG (0.36) PPARGPPARAMEN1ALDH1A1CYP1A2
SCHEMBL27833813 0.93 PPARG (0.36) PPARGPPARAMEN1ALDH1A1CYP1A2
SCHEMBL28806427 0.91 MEN1 (0.38) PPARGPPARAMEN1ALDH1A1CYP1A2
SCHEMBL27833766 0.87 PHGDH (0.38) PPARGPPARAMEN1KMT2APPARD
SCHEMBL27909997 0.84 PPARG (0.35) PPARGPPARAMEN1ALDH1A1CYP1A2
SCHEMBL27713774 0.82 ALDH1A1 (0.34) PPARGPPARAALDH1A1PPARDAKR1C3
SCHEMBL28775106 0.81 TRPV1 (0.34) PPARGPPARAPPARDAKR1C3AKR1C2
SCHEMBL28775099 0.81 PPARG (0.43) PPARGPPARAMEN1POLBKMT2A
SCHEMBL27713592 0.81 ALDH1A1 (0.36) PPARGPPARAALDH1A1SMN1; SMN2PPARD
SCHEMBL27713459 0.81 PPARG (0.36) PPARGPPARAMEN1CYP2C9KMT2A

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-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
CN-102112441-A Use of indole derivatives as NURR-1 activators for the treatment of parkinson's disease FOURNIER LAB S A 2011-06-29 — — CN disclosed
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