SCHEMBL27884308

SCHEMBL27884308

CC(C)c1ccc(C=CCS(=O)(=O)n2c(Cc3ccc(OC(N)=O)c(F)c3)cc3cc(Cl)ccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 8/20 0.31
▸ PPARA Q07869 6/20 0.31
▸ PPARD Q03181 5/20 0.31
▸ P2RX3 P56373 2/20 0.31
▸ CACNA1H O95180 2/20 0.31
▸ GRIK1 P39086 1/20 0.30
▸ GRIK2 Q13002 1/20 0.30
▸ ACLY P53396 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL27884203 0.87 PPARG (0.34) PPARGPPARAPPARDCACNA1HGRIK1
SCHEMBL27884309 0.83 PPARG (0.32) PPARGPPARAPPARDP2RX3CACNA1H
SCHEMBL28797215 0.81 DHCR7 (0.41) PPARGPPARAPPARDGRIK1GRIK2
SCHEMBL28946031 0.80 ACLY (0.35) PPARGPPARAPPARDGRIK1GRIK2
SCHEMBL27867731 0.80 CCR2 (0.43) PPARGPPARAPPARDACLY
SCHEMBL27884298 0.77 PPARG (0.36) PPARGPPARAPPARD
SCHEMBL27713455 0.76 PPARG (0.54) PPARGPPARAPPARDACLYSMN1; SMN2
SCHEMBL27733850 0.75 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL27884471 0.74 ACLY (0.37) PPARGPPARAPPARDACLY
SCHEMBL27867734 0.73 CCR2 (0.39) PPARGPPARAPPARDMEN1KMT2A

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-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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