SCHEMBL28809335

SCHEMBL28809335

C=CC(c1cccc(C(C)(C)C)c1)S(=O)(=O)n1c(C(C)(O)c2ccc(C(=O)OC)cc2)cc2cc(C(F)(F)F)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PPARG P37231 6/20 0.34
▸ PPARA Q07869 4/20 0.34
▸ PPARD Q03181 3/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RORC P51449 2/20 0.32
▸ KCNN4 O15554 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ERAP2 Q6P179 1/20 0.31
▸ ERAP1 Q9NZ08 1/20 0.31
▸ ACLY P53396 1/20 0.31
▸ SLC6A9 P48067 1/20 0.31
▸ GCGR P47871 1/20 0.31
▸ SDHB P21912 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
SCHEMBL27950350 0.87 PPARG (0.35) POLBMAPTPPARGPPARAPPARD
SCHEMBL28947564 0.86 RORC (0.39) POLBMAPTPPARGPPARAPPARD
SCHEMBL28807374 0.82 RORC (0.39) PPARGPPARAPPARDRORCKCNN4
SCHEMBL27950250 0.80 RORC (0.36) POLBMAPTPPARGCYP3A4CYP2C9
SCHEMBL27950235 0.78 RXRA (0.34) PPARGPPARAPPARD
SCHEMBL27936033 0.78 RORC (0.41) POLBMAPTPPARGPPARAPPARD
SCHEMBL27950241 0.77 MAPT (0.35) MAPTPPARGPPARARORCLMNA
SCHEMBL28806427 0.77 MEN1 (0.38) POLBPPARGPPARAPPARDCYP3A4
SCHEMBL27936023 0.75 RORC (0.40) PPARGPPARAPPARDRORCACLY
SCHEMBL27909997 0.75 PPARG (0.35) POLBPPARGPPARAPPARDCYP3A4

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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