SCHEMBL28668152

SCHEMBL28668152

NP(=O)(OCC(O)CO)OCC(O)CO

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PGD P52209 1/20 0.32
USP2 O75604 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
THRB P10828 1/20 0.31
LPAR5 Q9H1C0 1/20 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
SCHEMBL8664208 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNAALDH1A1KDM4EDUSP3
SCHEMBL2918083 0.80 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1KDM4EDUSP3
SCHEMBL7629224 0.79 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1KDM4EDUSP3
SCHEMBL7341 0.78 PGK1 (0.52) SMN1; SMN2LMNAALDH1A1PGDPGK1
SCHEMBL6655023 0.78 PGK1 (0.52) SMN1; SMN2LMNAALDH1A1PGDPGK1
SCHEMBL213379 0.78 PGK1 (0.52) SMN1; SMN2LMNAALDH1A1PGDPGK1
SCHEMBL12284729 0.78 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1KDM4EDUSP3
SCHEMBL7340 0.78 PGK1 (0.52) SMN1; SMN2LMNAALDH1A1PGDPGK1
SCHEMBL14278848 0.78 PGK1 (0.52) SMN1; SMN2LMNAALDH1A1PGDPGK1
SCHEMBL14278847 0.78 PGK1 (0.52) SMN1; SMN2LMNAALDH1A1PGDPGK1

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-113677349-A Structured molecular vectors for anti-inflammatory compounds and uses thereof 克洛德贝纳尔-里昂第一大学 2021-11-19 CN disclosed