SCHEMBL27867734

SCHEMBL27867734

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 2/20 0.39
▸ PPARG P37231 8/20 0.37
▸ PPARA Q07869 7/20 0.37
▸ PPARD Q03181 6/20 0.37
▸ RORC P51449 4/20 0.36
▸ NR1H4 Q96RI1 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ PTGDR Q13258 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL27884298 0.93 PPARG (0.36) CCR2PPARGPPARAPPARDRORC
SCHEMBL28800059 0.92 PPARG (0.36) CCR2PPARGPPARAPPARDRORC
SCHEMBL28800067 0.89 RORC (0.40) CCR2PPARGPPARAPPARDRORC
SCHEMBL28807364 0.86 PPARG (0.38) CCR2PPARGPPARAPPARDRORC
SCHEMBL12096783 0.85 PPARG (0.53) CCR2PPARGPPARAPPARDRORC
SCHEMBL28946335 0.85 PPARG (0.36) CCR2PPARGPPARAPPARDRORC
SCHEMBL27867730 0.84 PPARG (0.41) CCR2PPARGPPARAPPARDRORC
SCHEMBL27884203 0.84 PPARG (0.34) CCR2PPARGPPARAPPARD
SCHEMBL28946031 0.83 ACLY (0.35) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL27867800 0.83 PPARG (0.38) 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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