SCHEMBL6504833

SCHEMBL6504833

Cc1sc(-c2ccccc2)nc1C(=O)C(N)c1cc(CC(OC(C)C)C(=O)O)ccc1OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.40
PPARA Q07869 14/20 0.40
PPARD Q03181 9/20 0.40
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
SRR Q9GZT4 1/20 0.35
PSAT1 Q9Y617 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
XDH P47989 1/20 0.35

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 0.92 PPARG (0.41) PPARGPPARAPPARDSMN1; SMN2
SCHEMBL6497309 0.90 PPARG (0.41) PPARGPPARAPPARDSMN1; SMN2
SCHEMBL6498647 0.88 PPARG (0.37) PPARGPPARAPPARD
SCHEMBL5552673 0.85 PPARG (0.37) PPARGPPARAPPARDALDH1A1GAA
SCHEMBL6496883 0.84 PPARA (0.42) PPARGPPARAPPARD
SCHEMBL5549053 0.84 PPARG (0.35) PPARGPPARAPPARDALDH1A1GAA
SCHEMBL6495624 0.83 PPARG (0.39) PPARGPPARAPPARD
SCHEMBL5549704 0.83 PPARG (0.38) PPARGPPARAPPARDALDH1A1GAA
SCHEMBL6498698 0.82 PPARG (0.41) PPARGPPARAPPARD
SCHEMBL5553471 0.81 PPARG (0.35) PPARGPPARAPPARDALDH1A1GAA

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