SCHEMBL7039192

SCHEMBL7039192

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PPARG P37231 7/20 0.43
PPARD Q03181 5/20 0.43
PPARA Q07869 5/20 0.43
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7035730 0.91 ACACB (0.48) ACACBMEN1KMT2APPARGPPARD
SCHEMBL27028889 0.89 ACACB (0.54) ACACBMEN1KMT2APPARGPPARD
SCHEMBL27028869 0.88 ACACB (0.53) ACACBMEN1KMT2APPARGPPARD
SCHEMBL27029000 0.88 ACACB (0.53) ACACBMEN1KMT2APPARGPPARD
SCHEMBL29926007 0.88 ACACB (0.53) ACACBMEN1KMT2APPARGPPARD
SCHEMBL7035280 0.86 ACACB (0.43) ACACBPPARGPPARDPPARA
SCHEMBL9570589 0.84 MEN1 (0.52) MEN1KMT2APPARGPPARDPPARA
SCHEMBL4755605 0.82 L3MBTL1 (0.52) PPARGPPARDPPARATDP1LMNA
SCHEMBL7041549 0.82 MEN1 (0.48) ACACBMEN1KMT2APPARGPPARD
SCHEMBL27029085 0.82 ACACB (0.50) ACACBPPARACYP1A2CYP2C9HIF1A

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-2003002508-A1 DERIVATIVES OF PARA-ETHOXY-PHENILLACTIC ACID DR. REDDY'S RESEARCH FOUNDATION (IN) 2003-01-09 WO claimed