SCHEMBL11219458

SCHEMBL11219458

O=C(CC(O)C(=O)O)OC(=O)CC(O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
TET2 Q6N021 6/20 0.48
TET3 O43151 2/20 0.48
TET1 Q8NFU7 1/20 0.48
OR51E2 Q9H255 1/20 0.46
KDM4A O75164 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM2A Q9Y2K7 2/20 0.40
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 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
SCHEMBL6753717 0.93 SMN1; SMN2 (0.50) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL177315 0.93 SMN1; SMN2 (0.50) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL14920141 0.91 SMN1; SMN2 (0.48) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL27210192 0.91 SMN1; SMN2 (0.48) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL2036591 0.91 SMN1; SMN2 (0.48) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL9306134 0.91 SMN1; SMN2 (0.48) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL28786289 0.90 SMN1; SMN2 (0.52) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL6863771 0.90 SMN1; SMN2 (0.52) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL15864632 0.89 SMN1; SMN2 (0.46) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL4929943 0.89 SMN1; SMN2 (0.46) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4323676-A Process for preparing cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-04-06 US claimed
US-4308381-A Cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-29 US claimed
US-4245088-A Novel 3-acyloxymethyl-cephem compounds useful as intermediates for preparing cephalosporin antibiotics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-01-13 US claimed
US-4323676-A Process for preparing cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-04-06 US disclosed
US-4308381-A Cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-29 US disclosed
US-4245088-A Novel 3-acyloxymethyl-cephem compounds useful as intermediates for preparing cephalosporin antibiotics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-01-13 US disclosed