SCHEMBL6683495

SCHEMBL6683495

O=C(O)CC(O)C(=O)OO.[Fe]

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
SLC22A6 Q4U2R8 1/20 0.43
GABRR1 P24046 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.33
TET2 Q6N021 3/20 0.32
KDM4A O75164 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
TET3 O43151 1/20 0.32
OR51E2 Q9H255 1/20 0.31
PGD P52209 1/20 0.31
TSHR P16473 1/20 0.30
GPR84 Q9NQS5 3/20 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
SCHEMBL4442369 0.97 SMN1; SMN2 (0.55) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL27649451 0.95 SMN1; SMN2 (0.52) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL1693550 0.79 FOLH1 (0.42) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL180343 0.79 SMN1; SMN2 (0.57) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL6751855 0.78
SCHEMBL23045309 0.77 SMN1; SMN2 (0.55) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL1906818 0.77 SMN1; SMN2 (0.55) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL15190597 0.77 SMN1; SMN2 (0.31) SMN1; SMN2
Water SCHEMBL11414435 0.77 SMN1; SMN2 (0.55) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL15190584 0.75

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
WO-2004050031-A2 DIMETALHYDROXY MALATES ALBION INTERNATIONAL, INC. (US) 2004-06-17 WO disclosed