SCHEMBL11409129

SCHEMBL11409129

O=C(O)CCCCC(=O)OCCCC(OCC(O)CO)C(O)CO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
DUSP3 P51452 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
DGKA P23743 2/20 0.39
FAAH O00519 4/20 0.34
CNR2 P34972 4/20 0.34
NPC1 O15118 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
FFAR1 O14842 1/20 0.32
PRKCA P17252 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31

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
SCHEMBL10919800 0.80 KDM4E (0.48) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL22654504 0.80 LMNA (0.38) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL11228898 0.78 KDM4E (0.49) KDM4EDUSP3MEN1KMT2ALMNA
Adipic Acid SCHEMBL11615440 0.77 KDM4E (0.50) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL270754 0.76 LMNA (0.69) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL3975355 0.76 LMNA (0.51) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL1104267 0.76 FFAR4 (0.49) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL29110916 0.76 FFAR4 (0.49) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL2816159 0.75 LMNA (0.39) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL3794757 0.75 LMNA (0.72) KDM4EDUSP3MEN1KMT2ALMNA

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-0035389-A2 Process for preparing integral skin microcellular polyester base polyurethane elastomers, the elastomers per se isocyanate curable compositions and two component combinations for producing the elastomers and cast shoe soles attached to shoe uppers PLASTICS TECHNOLOGY ASSOCIATES, INC. (US) 1981-09-09 EP disclosed