SCHEMBL5388949

SCHEMBL5388949

NC(=O)c1ccc(COc2ccc(S(=O)(=O)n3cc(CCC(=O)O)c4ccccc43)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
HTR6 P50406 15/20 0.51
PARP10 Q53GL7 2/20 0.49
DRD2 P14416 2/20 0.48
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR1F P30939 1/20 0.44
HTR7 P34969 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL3029347 0.88 PPARG (0.73) PPARGPPARDPPARAHTR6DRD2
SCHEMBL3029685 0.81 PPARG (0.78) PPARGPPARDPPARAHTR6DRD2
SCHEMBL13940270 0.80 PPARG (0.80) PPARGPPARDPPARAHTR6DRD2
SCHEMBL5660150 0.80 PPARG (0.80) PPARGPPARDPPARAHTR6DRD2
SCHEMBL3033927 0.79 HTR6 (0.71) PPARGPPARDPPARAHTR6DRD2
SCHEMBL3029876 0.78 PPARG (0.75) PPARGPPARDPPARAHTR6DRD2
SCHEMBL5662529 0.76 HTR6 (0.61) PPARGPPARDPPARAHTR6DRD2
SCHEMBL352067 0.75 HTR6 (0.51) PPARGPPARDPPARAHTR6FFAR1
SCHEMBL3029476 0.75 PPARG (0.75) PPARGPPARDPPARAHTR6DRD2
SCHEMBL4815832 0.73 HTR6 (0.75) PPARGPPARDPPARAHTR6DRD2

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-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 US claimed