SCHEMBL1444485

SCHEMBL1444485

CC(C)c1ccc(S(=O)(=O)n2[c]cc3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.40
▸ PPARA Q07869 5/20 0.40
▸ PPARD Q03181 4/20 0.40
▸ HTR6 P50406 7/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ BRS3 P32247 1/20 0.36
▸ PHGDH O43175 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL27713356 0.84 PPARG (0.51) PPARGPPARAPPARDHTR6NOD1
SCHEMBL12097017 0.78 HTR6 (0.55) HTR6
SCHEMBL12096697 0.74 PPARG (0.47) PPARGPPARAPPARDHTR6CNR2
SCHEMBL12096981 0.74 PPARG (0.57) PPARGPPARAPPARDHTR6NOD1
SCHEMBL12096695 0.74 PPARG (0.54) PPARGPPARAPPARDHTR6NOD1
SCHEMBL12096867 0.69 PPARG (0.47) PPARGPPARAPPARDNOD1PHGDH
SCHEMBL3520953 0.67 PPARG (0.54) PPARGPPARAPPARDPHGDH
SCHEMBL1441860 0.64 KDM1A (0.48) CYP2D6
SCHEMBL84043 0.64 PDE2A (0.53) CYP2D6
SCHEMBL14631737 0.63 HTR6 (0.53) PPARGHTR6

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
EP-2475642-A1 USE OF INDOLE DERIVATIVES AS NURR-1 ACTIVATORS FOR THE APPLICATION THEREOF AS A MEDICAMENT FOR THE TREATMENT OF PARKINSON'S DISEASE Laboratoires Fournier S.A. (FR) 2012-07-18 — — EP disclosed
WO-2011030068-A1 USE OF INDOLE DERIVATIVES AS NURR-1 ACTIVATORS FOR THE APPLICATION THEREOF AS A MEDICAMENT FOR THE TREATMENT OF PARKINSON'S DISEASE LABORATOIRES FOURNIER SA (FR) 2011-03-17 — — WO disclosed
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