SCHEMBL6507452

SCHEMBL6507452

CCOC(=O)C(C)(C=O)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 2/20 0.50
ALOX5 P09917 2/20 0.49
MMP8 P22894 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 1/20 0.47
PRKCA P17252 1/20 0.46
PRKCD Q05655 1/20 0.46
PPARG P37231 3/20 0.46
PPARA Q07869 2/20 0.46
NR4A2 P43354 2/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46

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
SCHEMBL6504864 0.85 MMP8 (0.63) NR1H4L3MBTL1LMNAALDH1A1ALOX5
SCHEMBL15669148 0.85 L3MBTL1 (0.56) NR1H4L3MBTL1LMNAALDH1A1ALOX5
SCHEMBL3994508 0.84 L3MBTL1 (0.55) NR1H4L3MBTL1LMNAALDH1A1ALOX5
SCHEMBL5992353 0.81 L3MBTL1 (0.53) NR1H4L3MBTL1LMNAALDH1A1ALOX5
SCHEMBL6036021 0.81 L3MBTL1 (0.58) NR1H4L3MBTL1LMNAALDH1A1ALOX5
SCHEMBL2807182 0.81 PPARG (0.55) NR1H4L3MBTL1LMNAALDH1A1ALOX5
SCHEMBL14176244 0.80 LMNA (0.54) NR1H4L3MBTL1LMNAALDH1A1ALOX5
SCHEMBL14210007 0.79 ALDH1A1 (0.53) NR1H4L3MBTL1LMNAALDH1A1ALOX5
SCHEMBL6716118 0.79 L3MBTL1 (0.53) NR1H4L3MBTL1LMNAALDH1A1ALOX5
SCHEMBL6713228 0.79 PPARG (0.53) NR1H4L3MBTL1LMNAALDH1A1ALOX5

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
WO-2005016911-A1 4-PYRIMIDONE DERIVATIVES AND THEIR USE AS PEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 WO claimed
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed