SCHEMBL28293178

SCHEMBL28293178

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
TET2 Q6N021 6/20 0.46
TET3 O43151 2/20 0.46
TET1 Q8NFU7 1/20 0.46
OR51E2 Q9H255 1/20 0.39
KDM4A O75164 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM2A Q9Y2K7 2/20 0.34
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
KMO O15229 1/20 0.31
GPR84 Q9NQS5 3/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL557704 0.82
SCHEMBL6547622 0.77 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL28196876 0.76 GRIK1 (0.48)
SCHEMBL3196025 0.76 GRIK1 (0.48)
SCHEMBL11219458 0.75 SMN1; SMN2 (0.57) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL23610187 0.74
SCHEMBL23923580 0.74
SCHEMBL1506875 0.74
SCHEMBL28275674 0.74 MMP1 (0.52) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL20836207 0.74 TDP1 (0.58) SMN1; SMN2MMP1MMP2MMP3MMP9

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
CN-109641843-A - 2 (1H) -one of 4- hydroxyl -3- sulfonyl pyridine as APJ agonist 百时美施贵宝公司 2019-04-16 CN disclosed