SCHEMBL28807363

SCHEMBL28807363

CC(C)(C)c1cccc(C=CCS(=O)(=O)n2c(Cc3ccc(C(=O)N(N)C(=O)O)cc3)cc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.35
▸ PPARA Q07869 7/20 0.35
▸ RORC P51449 2/20 0.35
▸ PPARD Q03181 6/20 0.35
▸ ITK Q08881 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GCGR P47871 1/20 0.32
▸ MAOB P27338 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
SCHEMBL27936024 0.90 PPARG (0.39) PPARGPPARARORCPPARD
Piperazine SCHEMBL27950239 0.86 PPARG (0.36) PPARGPPARARORCPPARDALDH1A1
SCHEMBL27950252 0.85 PPARG (0.38) PPARGPPARARORCPPARDNR1H4
SCHEMBL28810371 0.84 MEN1 (0.36) PPARGRORCALDH1A1MAOB
SCHEMBL12096743 0.84 PPARG (0.48) PPARGPPARARORCPPARDHDAC11
SCHEMBL28807364 0.84 PPARG (0.38) PPARGPPARARORCPPARDNR1H4
SCHEMBL27884360 0.84 PPARG (0.38) PPARGPPARARORCPPARDMAOB
SCHEMBL27936050 0.83 PPARG (0.37) PPARGPPARARORCPPARDALDH1A1
SCHEMBL27950301 0.83 PPARG (0.37) PPARGPPARARORCPPARDALDH1A1
SCHEMBL27936025 0.82 PPARG (0.36) PPARGPPARARORCPPARD

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-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
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