SCHEMBL6502969

SCHEMBL6502969

CC(C)OC(Cc1ccc(-c2ccsc2)c(CNC(=O)c2ccc(OC3CCCC3)cc2Cl)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 9/20 0.38
HRH3 Q9Y5N1 3/20 0.36
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
PPARD Q03181 1/20 0.34
EPHX2 P34913 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
APP P05067 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL6504440 0.90 EPHX2 (0.36) PPARGPPARAPPARDEPHX2ITGB1
SCHEMBL6495506 0.87 PPARA (0.38) PPARGPPARAPPARD
SCHEMBL6505766 0.87 PPARG (0.39) S1PR3HRH3PPARGPPARAPPARD
SCHEMBL6504909 0.87 S1PR3 (0.38) S1PR3HRH3PPARGPPARAPPARD
SCHEMBL6504030 0.87 PPARG (0.37) PPARGPPARAPPARD
SCHEMBL6503035 0.86 S1PR3 (0.36) S1PR3HRH3PPARGPPARAPPARD
SCHEMBL6502859 0.86 S1PR3 (0.36) S1PR3HRH3PPARGPPARAPPARD
SCHEMBL6494217 0.86 S1PR3 (0.36) S1PR3HRH3PPARGPPARAPPARD
SCHEMBL6503457 0.85 PDE4A (0.42) S1PR3HRH3PPARGPPARAPPARD
SCHEMBL6503062 0.84 PDE4A (0.40) S1PR3HRH3PPARGPPARAPPARD

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