SCHEMBL5205474

SCHEMBL5205474

CCOC(=O)C(CC)(Cc1ccc(O)cc1)Oc1ccccc1.CCOC(=O)C(CC)(Cc1ccc(OCc2ccccc2)cc1)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PPARG P37231 6/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PPARA Q07869 4/20 0.47
PPARD Q03181 3/20 0.47
NR1H4 Q96RI1 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX5 P09917 2/20 0.45
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
BCHE P06276 2/20 0.45
LTB4R Q15722 1/20 0.44

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
SCHEMBL5205197 0.97 PPARG (0.51) LMNAPPARGL3MBTL1PPARAPPARD
SCHEMBL5123841 0.92 PPARA (0.45) LMNACYP1A2PPARGPPARAPPARD
SCHEMBL5213397 0.85 PPARG (0.52) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6713228 0.82 PPARG (0.53) LMNAPTGS1PTGS2PPARGL3MBTL1
SCHEMBL2807182 0.81 PPARG (0.55) LMNAPPARGL3MBTL1PPARAPPARD
SCHEMBL5122601 0.81 PPARA (0.48) CYP1A2PPARGPPARAPPARDALDH1A1
SCHEMBL14311455 0.79 NR4A2 (0.53) CYP2C19PPARGPPARAPPARDFFAR1
SCHEMBL14176244 0.79 LMNA (0.54) LMNAPPARGL3MBTL1PPARAPPARD
SCHEMBL15669148 0.78 L3MBTL1 (0.56) LMNAPTGS1PTGS2PPARGL3MBTL1
SCHEMBL6504864 0.78 MMP8 (0.63) LMNAPTGS1PTGS2PPARGL3MBTL1

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
EP-1313717-B1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS LILLY CO ELI (US) 2007-10-17 EP disclosed