SCHEMBL7036896

SCHEMBL7036896

CCC(OC(C)=O)(OC(C)=O)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MTNR1A P48039 5/20 0.39
MTNR1B P49286 5/20 0.39
ALOX15 P16050 1/20 0.38
PPARG P37231 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ELANE P08246 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPARA Q07869 2/20 0.38
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL784043 0.79 ELANE (0.41) ALDH1A1MTNR1AMTNR1BALOX15PPARG
SCHEMBL19072454 0.77 L3MBTL1 (0.39) ALDH1A1MTNR1AMTNR1BPPARGL3MBTL1
SCHEMBL20180651 0.77 ALDH1A1 (0.40) ALDH1A1PPARGL3MBTL1ELANEPPARA
Acetic Acid SCHEMBL28684431 0.76 PPARG (0.42) ALDH1A1MTNR1AMTNR1BALOX15PPARG
SCHEMBL28371403 0.75 CYP2C19 (0.37) ALDH1A1ALOX15PPARGL3MBTL1NPSR1
SCHEMBL812117 0.75 GAA (0.44) ALDH1A1CYP1A2GAA
SCHEMBL23754112 0.73 PPARG (0.45) ALOX15PPARGL3MBTL1NPSR1PPARA
SCHEMBL1805352 0.73 PPARG (0.43) ALDH1A1ALOX15PPARGL3MBTL1NPSR1
SCHEMBL11355320 0.73 KCNN4 (0.47) MTNR1AMTNR1BPPARGL3MBTL1ELANE
SCHEMBL12825608 0.73 PPARG (0.40) ALDH1A1MTNR1AMTNR1BALOX15PPARG

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
EP-1290058-A2 PROCESS FOR MANUFACTURING A HYDROXYESTER DERIVATIVE INTERMEDIATE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2003-03-12 EP disclosed
WO-2001088013-A2 PROCESS FOR MANUFACTURING A HYDROXYESTER DERIVATIVE INTERMEDIATE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC (US) 2001-11-22 WO disclosed