SCHEMBL27950250

SCHEMBL27950250

C=CC(c1cccc(C(C)(C)C)c1)S(=O)(=O)n1c(Cc2ccc(C(=O)OC)cc2)cc2ccc(C(F)(F)F)cc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 5/20 0.36
▸ PPARG P37231 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ KCNN4 O15554 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ IDH1 O75874 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 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
SCHEMBL28947564 0.94 RORC (0.39) RORCPPARGMAPTPOLBCA1
SCHEMBL28807374 0.87 RORC (0.39) RORCPPARGKCNN4ALDH1A1HTT
SCHEMBL27950241 0.86 MAPT (0.35) RORCPPARGMAPTCA1CA2
SCHEMBL27936033 0.85 RORC (0.41) RORCPPARGMAPTPOLBCYP3A4
SCHEMBL27950251 0.81 RORC (0.41) RORCPPARGCYP3A4CYP2C9MAPK1
SCHEMBL27936029 0.81 RXRA (0.36) RORCPPARG
SCHEMBL28809335 0.80 POLB (0.34) RORCPPARGMAPTPOLBKCNN4
SCHEMBL27950350 0.79 PPARG (0.35) RORCPPARGMAPTPOLBKCNN4
SCHEMBL27950246 0.77 PPARG (0.35) RORCPPARG
SCHEMBL28807361 0.76 PPARG (0.36) RORCPPARG

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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