SCHEMBL6498647

SCHEMBL6498647

Cc1sc(-c2ccccc2)nc1C(=O)C(N)c1cc(CC(OC(C)C)C(=O)O)ccc1OC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.37
PPARA Q07869 12/20 0.37
PPARD Q03181 7/20 0.37
PDE4A P27815 4/20 0.35
TPH1 P17752 1/20 0.35
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL6504833 0.88 PPARG (0.40) PPARGPPARAPPARD
SCHEMBL6502621 0.87 PPARG (0.41) PPARGPPARAPPARD
SCHEMBL6497309 0.85 PPARG (0.41) PPARGPPARAPPARD
SCHEMBL6498650 0.83 EPHX2 (0.40) PPARGPPARAPPARDPDE4APDE4B
SCHEMBL5552673 0.80 PPARG (0.37) PPARGPPARAPPARD
SCHEMBL6496883 0.80 PPARA (0.42) PPARGPPARAPPARD
SCHEMBL5549053 0.79 PPARG (0.35) PPARGPPARAPPARDTPH1
SCHEMBL6495624 0.78 PPARG (0.39) PPARGPPARAPPARD
SCHEMBL5549704 0.78 PPARG (0.38) PPARGPPARAPPARD
SCHEMBL6495937 0.78 WDR5 (0.40) PPARGPPARAPPARDPDE4ATPH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed