SCHEMBL5081389

SCHEMBL5081389

O=C(O)CC(O)C(=O)OC(=O)/C=C\C(=O)OC(=O)C(O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.39
HCAR2 Q8TDS4 4/20 0.34
GABRR1 P24046 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.30
MAPT P10636 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
SCHEMBL180343 0.84 SMN1; SMN2 (0.57) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL1201601 0.83 SMN1; SMN2 (0.43) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL1906818 0.81 SMN1; SMN2 (0.55) SMN1; SMN2SLC22A6GABRR1LMNATDP1
Water SCHEMBL11414435 0.81 SMN1; SMN2 (0.55) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL1533802 0.80 HCAR2 (0.42) HCAR2
SCHEMBL7058764 0.80 HCAR2 (0.42) HCAR2
SCHEMBL15569162 0.80 LMNA (0.53) SMN1; SMN2HCAR2LMNAMAPT
Ethylene SCHEMBL3909087 0.79 SMN1; SMN2 (0.52) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL30013897 0.78 PYGL (0.56) HCAR2LMNA
Malic Acid SCHEMBL2538756 0.77 SMN1; SMN2 (0.71) SMN1; SMN2SLC22A6GABRR1LMNATDP1

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
US-20080119669-A1 Process for the Recovery of Organic Compounds from Mixtures Containing (Meth)Acrylic Acid by Extraction with a Protic Solvent EVONIK STOCKHAUSEN GMBH (DE) 2008-05-22 US disclosed