SCHEMBL28274392

SCHEMBL28274392

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
CPT2 P23786 1/20 0.36
ACLY P53396 1/20 0.36
TET2 Q6N021 6/20 0.34
TET3 O43151 2/20 0.34
TET1 Q8NFU7 1/20 0.34
KDM4A O75164 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
OR51E2 Q9H255 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL28307091 0.88 CPT2 (0.32) CPT2ACLY
SCHEMBL290603 0.86 CPT2 (0.32) SMN1; SMN2CPT2ACLYALDH1A1
SCHEMBL28778140 0.84 CPT2 (0.32) CPT2ACLY
SCHEMBL247923 0.84 CPT2 (0.32) CPT2ACLY
SCHEMBL28954895 0.84 CPT2 (0.32) CPT2ACLY
SCHEMBL28954899 0.84 CPT2 (0.32) CPT2ACLY
SCHEMBL3955192 0.84 CPT2 (0.32) CPT2ACLY
SCHEMBL3647978 0.84 CPT2 (0.32) CPT2ACLY
Water SCHEMBL28670203 0.83 CPT2 (0.31) CPT2ACLY
SCHEMBL2037914 0.80 SLC22A6 (0.48) SMN1; SMN2CPT2ACLYTDP1ALDH1A1

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-106084303-B A kind of Biodegradable high-molecular is composite porous and preparation method thereof 陕西科技大学 2019-01-18 CN disclosed