SCHEMBL6746331

SCHEMBL6746331

O=C(O)CC(C(O)CCO)C(O)CCO

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
GABRR1 P24046 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
FOLH1 Q04609 1/20 0.34
GPR84 Q9NQS5 4/20 0.34
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
THRB P10828 1/20 0.32

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
SCHEMBL16600672 0.82 SLC22A6 (0.46) SLC22A6SMN1; SMN2GABRR1LMNATDP1
SCHEMBL16600086 0.78 SLC22A6 (0.42) SLC22A6SMN1; SMN2GABRR1LMNATDP1
SCHEMBL8741702 0.76 TDP1 (0.56) SLC22A6SMN1; SMN2GABRR1LMNATDP1
SCHEMBL420866 0.74
SCHEMBL10054699 0.74
SCHEMBL3811161 0.74
SCHEMBL7451358 0.73 FOLH1 (0.43) SLC22A6SMN1; SMN2FOLH1TET2KDM4A
SCHEMBL16600326 0.72 TET2 (0.50) LMNAFOLH1GPR84TET2KDM4A
SCHEMBL17867252 0.71 SLC22A6 (0.40) SLC22A6SMN1; SMN2GABRR1LMNATDP1
SCHEMBL692357 0.70 SLC22A6 (0.43) SLC22A6SMN1; SMN2GABRR1LMNATDP1

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-6693222-B2 HYDRATING ACROLEIN USING ACID CATALYST, CATALYTICALLY HYDROGENATING PRODUCT, REFINING MIXTURE CONTAINING WATER, 1,3-PROPANEDIOL AND HIGH BOILING BY-PRODUCTS, TREATING BOILER SUMP IN AQUEOUS SOLUTION WITH ACID CATALYST, NEUTRALIZING E. I. DU PONT DE NEMOURS AND COMPANY 2004-02-17 US disclosed