SCHEMBL10780452

SCHEMBL10780452

COC(=O)OC(=O)OCC(O)CO

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SOAT1 P35610 1/20 0.39
DGKA P23743 1/20 0.38
FAAH O00519 2/20 0.36
AGTR1 P30556 1/20 0.34
CYP1A2 P05177 1/20 0.34
USP2 O75604 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 0.31
ADRB3 P13945 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4337039 0.91 LMNA (0.46) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL11126908 0.89 LMNA (0.48) LMNAKDM4EDUSP3MEN1KMT2A
Bicarbonate SCHEMBL10780457 0.85 LMNA (0.46) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL15322926 0.85 LMNA (0.44) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL3701304 0.83 LMNA (0.44) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL2904704 0.82 LMNA (0.48) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL2904697 0.82 LMNA (0.48) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL44490 0.82 LMNA (0.48) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL28170840 0.81 LMNA (0.42) LMNAKDM4EDUSP3MEN1KMT2A
Alcohol SCHEMBL20504373 0.80 LMNA (0.53) LMNAKDM4EDUSP3MEN1KMT2A

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
US-4658041-A EQUILIBRIUM INTERCHANGE OF ALKYL HALIDES AND AN ALKYL CARBONATE USING A BASIC CATALYST THE DOW CHEMICAL COMPANY (US) 1987-04-14 US disclosed