SCHEMBL27867800

SCHEMBL27867800

CC(C)c1ccc(C=CCS(=O)(=O)n2c(CO)cc3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.38
▸ PPARA Q07869 8/20 0.38
▸ PPARD Q03181 7/20 0.38
▸ PHGDH O43175 1/20 0.33
▸ PTGS1 P23219 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ UTS2R Q9UKP6 1/20 0.32
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ GRIK1 P39086 1/20 0.31
▸ GRIK2 Q13002 1/20 0.31
▸ AHR P35869 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL28800067 0.85 RORC (0.40) PPARGPPARAPPARDRORC
SCHEMBL27884298 0.83 PPARG (0.36) PPARGPPARAPPARDAKR1C3AKR1C2
SCHEMBL28800079 0.83 PPARG (0.36) PPARGPPARAPPARDPHGDHRORC
SCHEMBL28946335 0.83 PPARG (0.36) PPARGPPARAPPARDRORC
SCHEMBL27867734 0.83 CCR2 (0.39) PPARGPPARAPPARDRORC
SCHEMBL28800059 0.83 PPARG (0.36) PPARGPPARAPPARDRORC
SCHEMBL28807362 0.82 PPARG (0.39) PPARGPPARAPPARDTP53MAPT
SCHEMBL12096981 0.81 PPARG (0.57) PPARGPPARAPPARDPHGDHRORC
SCHEMBL27867762 0.79 PPARG (0.41) PPARGPPARAPPARDRORC
SCHEMBL27833812 0.78 PPARG (0.56) 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 2 patents. 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
CN-102596906-A Use of indole derivatives as NURR-1 activators as agents for the treatment of Parkinson's disease FOURNIER LAB SA 2012-07-18 — — CN disclosed
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