SCHEMBL6505538

SCHEMBL6505538

CC(C)OC(Cc1ccc(-c2ccco2)c(CNC(=O)c2ccc(OC3CCCC3)cc2Cl)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 7/20 0.38
HRH3 Q9Y5N1 3/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
UBE2I P63279 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
EPHX2 P34913 1/20 0.35
PPARD Q03181 1/20 0.34
HRH1 P35367 2/20 0.34
CCR3 P51677 2/20 0.34
KCNH2 Q12809 2/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL6496963 0.90 TP53 (0.39) PPARGPPARAUBE2ICACNA1BAPBA1
SCHEMBL6496468 0.87 MAPT (0.38) PPARGPPARAUBE2ICACNA1BAPBA1
SCHEMBL6504909 0.87 S1PR3 (0.38) S1PR3HRH3PPARGPPARAEPHX2
SCHEMBL6502543 0.87 LMNA (0.38) PPARGPPARAUBE2ICACNA1BAPBA1
SCHEMBL6505766 0.85 PPARG (0.39) S1PR3HRH3PPARGPPARAEPHX2
SCHEMBL6503457 0.85 PDE4A (0.42) S1PR3HRH3PPARGPPARAEPHX2
SCHEMBL6503035 0.85 S1PR3 (0.36) S1PR3HRH3PPARGPPARAEPHX2
SCHEMBL6502859 0.85 S1PR3 (0.36) S1PR3HRH3PPARGPPARAEPHX2
SCHEMBL6494217 0.85 S1PR3 (0.36) S1PR3HRH3PPARGPPARAEPHX2
SCHEMBL6503062 0.84 PDE4A (0.40) S1PR3HRH3PPARGPPARAEPHX2

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