Sugi Predict

Sugi Predict / Compounds / SCHEMBL6497309

SCHEMBL6497309

SCHEMBL6497309

CCCOc1ccc(CC(OC(C)C)C(=O)O)cc1C(N)C(=O)c1nc(-c2ccccc2)sc1C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 18/20 0.41
▸ PPARA Q07869 13/20 0.41
▸ PPARD Q03181 9/20 0.40
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL6502621 0.94 PPARG (0.41) PPARGPPARAPPARDSMN1; SMN2
SCHEMBL6504833 0.90 PPARG (0.40) PPARGPPARAPPARDSMN1; SMN2
SCHEMBL6498698 0.86 PPARG (0.41) PPARGPPARAPPARD
SCHEMBL6498647 0.85 PPARG (0.37) PPARGPPARAPPARD
SCHEMBL5552673 0.82 PPARG (0.37) PPARGPPARAPPARDSMN1; SMN2
SCHEMBL6497310 0.82 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL6496883 0.82 PPARA (0.42) PPARGPPARAPPARD
SCHEMBL5549053 0.81 PPARG (0.35) PPARGPPARAPPARDSMN1; SMN2
SCHEMBL6495624 0.80 PPARG (0.39) PPARGPPARAPPARD
SCHEMBL5549704 0.80 PPARG (0.38) PPARGPPARAPPARDSMN1; SMN2

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