SCHEMBL2467750

SCHEMBL2467750

CC(O)C(=O)OC(=O)CC(O)C(=O)O.[CaH2]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.39
TET2 Q6N021 6/20 0.38
TET3 O43151 2/20 0.38
TET1 Q8NFU7 1/20 0.38
OR51E2 Q9H255 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
KMO O15229 1/20 0.32
GPR84 Q9NQS5 3/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
FFAR1 O14842 1/20 0.31
KDM4A O75164 2/20 0.31
KDM4C Q9H3R0 2/20 0.31
KDM2A Q9Y2K7 2/20 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
SCHEMBL1365024 0.98 SMN1; SMN2 (0.44) SMN1; SMN2TP53TET2TET3TET1
SCHEMBL2180359 0.86
SCHEMBL29614 0.83 TP53 (0.31) TP53
SCHEMBL11590767 0.83 SMN1; SMN2 (0.46) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL10538226 0.82 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL5689902 0.82 SMN1; SMN2 (0.44) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL4435955 0.82
SCHEMBL2036591 0.81 SMN1; SMN2 (0.48) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL6205354 0.81 SMN1; SMN2 (0.48) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL11219458 0.80 SMN1; SMN2 (0.57) SMN1; SMN2TET2TET3TET1OR51E2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111278378-B Calcium electroporation delivery device 波士顿科学国际有限公司 2023-09-08 CN disclosed
EP-1711072-B1 METHOD FOR THE PRODUCTION OF A CALCIUM LACTATE MALATE COMPOUND AND CALCIUM LACTATE MALATE COMPOUND PAUL LOHMANN GMBH KG DR (DE) 2011-10-05 EP disclosed
EP-1711072-A1 METHOD FOR THE PRODUCTION OF A CALCIUM LACTATE MALATE COMPOUND AND CALCIUM LACTATE MALATE COMPOUND Dr. Paul Lohmann GmbH KG (DE) 2006-10-18 EP disclosed
WO-2005072539-A1 METHOD FOR THE PRODUCTION OF A CALCIUM LACTATE MALATE COMPOUND AND CALCIUM LACTATE MALATE COMPOUND DR. PAUL LOHMANN GMBH KG (DE) 2005-08-11 WO disclosed