SCHEMBL27833766

SCHEMBL27833766

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 8/20 0.38
▸ PPARG P37231 6/20 0.37
▸ PPARA Q07869 5/20 0.37
▸ PPARD Q03181 4/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ 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
▸ ACLY P53396 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
SCHEMBL27733852 0.93 PSEN1 (0.39) PHGDHPPARGPPARAPPARDPSEN1
SCHEMBL27733711 0.89 PPARG (0.41) PHGDHPPARGPPARAPPARDMEN1
SCHEMBL27833814 0.87 PPARG (0.37) PHGDHPPARGPPARAPPARDMEN1
SCHEMBL27813772 0.86 PPARG (0.36) PHGDHPPARGPPARAPPARDMEN1
SCHEMBL27733726 0.83 PPARG (0.42) PHGDHPPARGPPARAPPARDMEN1
SCHEMBL27733841 0.82 F7 (0.36) PHGDHPPARGPPARAPPARD
SCHEMBL27733696 0.82 PTGS1 (0.40) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL28775109 0.81 RECQL (0.39) PHGDHPPARGPPARAPPARDMEN1
SCHEMBL28775103 0.81 MEN1 (0.41) PHGDHPPARGPPARAPPARDMEN1
SCHEMBL27713457 0.81 PSEN1 (0.46) PHGDHMEN1KMT2APSEN1PSEN2

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
Send feedback