SCHEMBL14606001

SCHEMBL14606001

COc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.88

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.88
▸ PPARD Q03181 5/20 0.88
▸ PPARA Q07869 5/20 0.88
▸ HTR6 P50406 15/20 0.73
▸ HTR1A P08908 1/20 0.60
▸ DRD2 P14416 1/20 0.60
▸ HTR1D P28221 1/20 0.60
▸ HTR1B P28222 1/20 0.60
▸ HTR1E P28566 1/20 0.60
▸ HTR1F P30939 1/20 0.60
▸ HTR7 P34969 1/20 0.60
▸ DRD3 P35462 1/20 0.60

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
Indeglitazar SCHEMBL29375502 0.94 PPARG (1.00) PPARGPPARDPPARAHTR6HTR1A
Indeglitazar SCHEMBL3019199 0.94 PPARG (1.00) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL4605145 0.91 PPARG (0.94) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL14605552 0.91 PPARG (0.90) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL352303 0.91 PPARG (0.90) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL4605850 0.91 PPARG (0.94) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL3034510 0.90 PPARG (0.89) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL3036477 0.90 PPARG (0.84) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL14606008 0.90 PPARG (0.71) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL5659494 0.90 PPARG (0.88) 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
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 — — WO disclosed
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