SCHEMBL3387670

SCHEMBL3387670

C[CH]CC(=O)OCC(O)CO

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
DUSP3 P51452 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
DGKA P23743 1/20 0.47
FAAH O00519 4/20 0.45
PRKCA P17252 1/20 0.36
CNR2 P34972 3/20 0.33
USP2 O75604 1/20 0.32
LPAR6 P43657 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR4 Q99677 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32

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
SCHEMBL27880845 0.82 LMNA (0.49) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL7789703 0.80 LMNA (0.47) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL1408649 0.77 KDM4E (0.61) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL9729719 0.77 TSHR (0.48) PRKCA
SCHEMBL12572610 0.77 KDM4E (0.61) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL840262 0.76 LMNA (0.55) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL299289 0.76 LMNA (0.55) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL236697 0.76 LMNA (0.66) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL27847346 0.76 KDM4E (0.47) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL823216 0.75 FAAH (0.56) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2182931-B1 DERIVATISED POLYSACCHARIDE MATERIAL FOR THE TOPIC ANTIBACTERIAL ACTIVITY HUMANITAS MIRASOLE SPA (IT) 2016-04-20 EP claimed
EP-2182931-A2 DERIVATISED POLYSACCHARIDE MATERIAL FOR THE TOPIC ANTIBACTERIAL ACTIVITY ISTITUTO CLINICO HUMANITAS (IT) 2010-05-12 EP claimed
WO-2009013261-A2 DERIVATISED POLYSACCHARIDE MATERIAL FOR THE TOPIC ANTIBACTERIAL ACTIVITY HUMANITAS MIRASOLE S.P.A. (IT) 2009-01-29 WO claimed
EP-2182931-B1 DERIVATISED POLYSACCHARIDE MATERIAL FOR THE TOPIC ANTIBACTERIAL ACTIVITY HUMANITAS MIRASOLE SPA (IT) 2016-04-20 EP disclosed
EP-2182931-A2 DERIVATISED POLYSACCHARIDE MATERIAL FOR THE TOPIC ANTIBACTERIAL ACTIVITY ISTITUTO CLINICO HUMANITAS (IT) 2010-05-12 EP disclosed
WO-2010010582-A1 ANTIBIOGRAM METHOD AND KIT HUMANITAS MIRASOLE S.P.A. (IT) 2010-01-28 WO disclosed
WO-2009013261-A2 DERIVATISED POLYSACCHARIDE MATERIAL FOR THE TOPIC ANTIBACTERIAL ACTIVITY HUMANITAS MIRASOLE S.P.A. (IT) 2009-01-29 WO disclosed