SCHEMBL4804765

SCHEMBL4804765

COc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1cc(F)cc(F)c1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.80
PPARD Q03181 5/20 0.80
PPARA Q07869 5/20 0.80
HTR6 P50406 15/20 0.60
HTR1A P08908 1/20 0.58
DRD2 P14416 1/20 0.58
HTR1D P28221 1/20 0.58
HTR1B P28222 1/20 0.58
HTR1E P28566 1/20 0.58
HTR1F P30939 1/20 0.58
HTR7 P34969 1/20 0.58
DRD3 P35462 1/20 0.58
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL3029862 0.92 PPARG (0.88) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL3030944 0.91 PPARG (0.76) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL3024954 0.90 PPARG (0.85) PPARGPPARDPPARAHTR6HTR1A
Indeglitazar SCHEMBL3019199 0.89 PPARG (1.00) PPARGPPARDPPARAHTR6HTR1A
Indeglitazar SCHEMBL29375502 0.89 PPARG (1.00) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL3034510 0.88 PPARG (0.89) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL3031397 0.88 PPARG (0.81) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL3035410 0.88 PPARG (0.80) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL14605552 0.86 PPARG (0.90) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL352303 0.86 PPARG (0.90) PPARGPPARDPPARAHTR6HTR1A

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
US-7348338-B2 PPAR active compounds PLEXXIKON, INC. (US) 2008-03-25 US claimed