SCHEMBL28516666

SCHEMBL28516666

O=C(O)CNC(O)C(O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CTH P32929 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
ECE1 P42892 1/20 0.30
FOLH1 Q04609 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
SCHEMBL987124 0.77
SCHEMBL2905242 0.75 SLC22A6 (0.40) SLC22A6ALDH1A1LMNAMAPTPTGS2
SCHEMBL28963615 0.75 USP2 (0.39) SMN1; SMN2
Hydrochloric Acid SCHEMBL27849662 0.74
SCHEMBL28536446 0.73 LDHA (0.41) LDHASRRSLC22A6ALDH1A1LMNA
SCHEMBL25407138 0.72
SCHEMBL2724120 0.72 SMN1; SMN2 (0.38) LDHASRRSLC22A6ALDH1A1LMNA
SCHEMBL203810 0.72
SCHEMBL8584828 0.72 OR51E2 (0.35) LDHASRRSLC22A6ALDH1A1LMNA
SCHEMBL13799966 0.71 TDP1 (0.48) LMNATDP1SMN1; SMN2

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-109762059-B Novel glucagon analogue and application thereof 清紫生物科技(深圳)有限公司 2021-01-12 CN disclosed