SCHEMBL6502621

SCHEMBL6502621

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1C(N)C(=O)c1nc(-c2ccccc2)sc1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.41
PPARA Q07869 14/20 0.41
PPARD Q03181 9/20 0.41
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6497309 0.94 PPARG (0.41) PPARGPPARAPPARDSMN1; SMN2
SCHEMBL6504833 0.92 PPARG (0.40) PPARGPPARAPPARDSMN1; SMN2
SCHEMBL6498647 0.87 PPARG (0.37) PPARGPPARAPPARD
SCHEMBL5552673 0.84 PPARG (0.37) PPARGPPARAPPARDRAB9ASMN1; SMN2
SCHEMBL6496883 0.84 PPARA (0.42) PPARGPPARAPPARD
SCHEMBL5549053 0.83 PPARG (0.35) PPARGPPARAPPARDRARARARB
SCHEMBL6498698 0.83 PPARG (0.41) PPARGPPARAPPARDL3MBTL1
SCHEMBL6495624 0.82 PPARG (0.39) PPARGPPARAPPARD
SCHEMBL6502624 0.82 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL5549704 0.82 PPARG (0.38) PPARGPPARAPPARDSMN1; SMN2L3MBTL1

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