SCHEMBL5800259

SCHEMBL5800259

CCC(C)OC(=O)C(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.46
LDHA P00338 2/20 0.45
ACE P12821 4/20 0.45
MME P08473 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
MAPT P10636 1/20 0.43
FOLH1 Q04609 1/20 0.43
TAAR1 Q96RJ0 3/20 0.42
SLC6A2 P23975 1/20 0.42
TSHR P16473 1/20 0.40
MIF P14174 1/20 0.39

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
SCHEMBL335398 0.88 MAPT (0.51) SLC7A5LDHAACEMMECPA1
SCHEMBL2828887 0.87 LDHA (0.44) LDHAMMEMAPT
SCHEMBL11274903 0.87 LDHA (0.44) LDHAACEMMECPA1ACE2
SCHEMBL2672622 0.87 PPARG (0.47) LDHAMAPTSLC6A2
SCHEMBL2672698 0.85 LDHA (0.67) LDHAMAPT
SCHEMBL2672561 0.84 CYP19A1 (0.46) LDHAMAPT
SCHEMBL2672529 0.83 MAOB (0.44) LDHAACEMAPT
SCHEMBL2672732 0.82 MEN1 (0.46) LDHAMAPT
SCHEMBL5802386 0.81 MMP8 (0.56) SLC7A5LDHAESR1ESR2FOLH1
SCHEMBL3963049 0.77 PPARA (0.48) SLC7A5ACEMMECPA1ACE2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006057505-A1 NOVEL COMPOUNDS AS AGONIST FOR PPARϜ AND PPARα, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2006-06-01 WO disclosed