SCHEMBL27936035

SCHEMBL27936035

CC(C)(C)c1cccc(C=CCS(=O)(=O)n2c(Cc3nc(C(=O)O)cs3)cc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 3/20 0.39
▸ PPARG P37231 9/20 0.37
▸ PPARA Q07869 8/20 0.37
▸ PPARD Q03181 7/20 0.36
▸ LDHA P00338 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ P4HB P07237 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL28810374 0.91 MAPT (0.37) PPARGPPARAPPARDMAPTKDM4E
SCHEMBL28809330 0.86 PPARG (0.37) PPARGPPARAPPARDTP53MAPT
SCHEMBL28807365 0.86 PTGER1 (0.40) PTGER1LDHACYP1A2CYP2C9CYP2C19
SCHEMBL27936024 0.84 PPARG (0.39) PPARGPPARAPPARD
SCHEMBL27936046 0.84 PPARG (0.37) PPARGPPARAPPARDTP53MAPT
SCHEMBL27950252 0.84 PPARG (0.38) PPARGPPARAPPARD
SCHEMBL12096905 0.83 PPARG (0.50) PTGER1PPARGPPARAPPARDLDHA
SCHEMBL28807362 0.83 PPARG (0.39) PPARGPPARAPPARDTP53MAPT
SCHEMBL27936025 0.83 PPARG (0.36) PPARGPPARAPPARDP4HBTP53
SCHEMBL27950238 0.82 POLB (0.44) PPARGPPARAPPARDALDH1A1POLB

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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