SCHEMBL27867730

SCHEMBL27867730

CN1CCOc2ccc(C=CCS(=O)(=O)n3c(Cc4ccc(C(=O)O)c(Cl)c4)cc4cc(C(F)(F)F)ccc43)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.41
▸ PPARA Q07869 5/20 0.41
▸ PPARD Q03181 4/20 0.41
▸ RORC P51449 8/20 0.39
▸ CCR2 P41597 1/20 0.35
▸ CPT2 P23786 1/20 0.32
▸ CPT1A P50416 1/20 0.32
▸ CPT1B Q92523 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ NR1I2 O75469 1/20 0.31
▸ KCNH2 Q12809 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
SCHEMBL27867794 0.92 PPARG (0.39) PPARGPPARAPPARDRORCCPT2
SCHEMBL28800055 0.90 PPARG (0.40) PPARGPPARAPPARDRORCCCR2
SCHEMBL27884208 0.88 PPARG (0.39) PPARGPPARAPPARDRORCCCR2
SCHEMBL27867749 0.86 PPARG (0.38) PPARGPPARAPPARDRORC
SCHEMBL12096869 0.86 PPARG (0.56) PPARGPPARAPPARDRORCCCR2
SCHEMBL27867748 0.85 PPARG (0.39) PPARGPPARAPPARDRORC
SCHEMBL27867762 0.85 PPARG (0.41) PPARGPPARAPPARDRORCKCNH2
SCHEMBL27867734 0.84 CCR2 (0.39) PPARGPPARAPPARDRORCCCR2
SCHEMBL28800053 0.84 PPARG (0.40) PPARGPPARAPPARDRORC
SCHEMBL28807364 0.83 PPARG (0.38) PPARGPPARAPPARDRORCCCR2

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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