SCHEMBL21775801

SCHEMBL21775801

CCC(O)COC(=O)CC(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
PRKCA P17252 1/20 0.37
TSHR P16473 2/20 0.36
LPAR6 P43657 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR4 Q99677 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
ENPP2 Q13822 1/20 0.36
DGKA P23743 1/20 0.35
RECQL P46063 1/20 0.35
CYP3A4 P08684 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL21775800 1.00 MAPT (0.43) MAPTKDM4EDUSP3MEN1KMT2A
SCHEMBL19899199 1.00 MAPT (0.43) MAPTKDM4EDUSP3MEN1KMT2A
SCHEMBL10510709 0.88 PRKCA (0.41) MAPTKDM4EDUSP3MEN1KMT2A
SCHEMBL15319570 0.83 KDM4E (0.53) MAPTKDM4EDUSP3MEN1KMT2A
SCHEMBL5907693 0.83 MAPT (0.43) MAPTKDM4EDUSP3MEN1KMT2A
SCHEMBL25476045 0.83 MAPT (0.39) MAPTKDM4EDUSP3MEN1KMT2A
SCHEMBL2552726 0.83 KDM4E (0.53) MAPTKDM4EDUSP3MEN1KMT2A
SCHEMBL24414507 0.82 MAPT (0.53) MAPTKDM4EDUSP3MEN1KMT2A
SCHEMBL24414468 0.82 MAPT (0.53) MAPTKDM4EDUSP3MEN1KMT2A
SCHEMBL27399683 0.82 MAPT (0.38) MAPTKDM4EDUSP3MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210322358-A1 Method for Treating Lysosomal Storage Disease MCMASTER UNIVERSITY (CA) 2021-10-21 US disclosed
US-11141392-B2 Method of improving flavor of a composition of (D)-beta-hydroxybutyric acid and (D)-1,3 butanediol and use as a nutritional supplement and therapeutic agent VitaNav, Inc. (US) 2021-10-12 US disclosed
US-20210275474-A1 METHOD OF IMPROVING FLAVOR OF A COMPOSITION OF (D)-BETA-HYDROXYBUTYRIC ACID AND (D)-1,3 BUTANEDIOL AND USE AS A NUTRITIONAL SUPPLEMENT AND THERAPEUTIC AGENT VitaNav, Inc. (US) 2021-09-09 US disclosed
EP-3843716-A1 METHOD FOR TREATING LYSOSOMAL STORAGE DISEASE Exerkine Corporation (CA) 2021-07-07 EP disclosed
WO-2020041871-A1 METHOD FOR TREATING LYSOSOMAL STORAGE DISEASE EXERKINE CORPORATION (CA) 2020-03-05 WO disclosed