SCHEMBL20134681

SCHEMBL20134681

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

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.63
GABRR1 P24046 2/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GPR84 Q9NQS5 4/20 0.41
ENPEP Q07075 1/20 0.37
FOLH1 Q04609 1/20 0.37
TET2 Q6N021 2/20 0.35
KDM4A O75164 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35

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
SCHEMBL10796880 0.85 SLC22A6 (0.52) SLC22A6GABRR1LMNASMN1; SMN2MAPT
SCHEMBL6453593 0.85 SLC22A6 (0.75) SLC22A6GABRR1LMNASMN1; SMN2MAPT
SCHEMBL1226091 0.81 SMN1; SMN2 (0.62) SLC22A6GABRR1LMNASMN1; SMN2MAPT
SCHEMBL9005323 0.81 SMN1; SMN2 (0.62) SLC22A6GABRR1LMNASMN1; SMN2MAPT
SCHEMBL25427974 0.80 SLC22A6 (0.67) SLC22A6GABRR1LMNASMN1; SMN2MAPT
SCHEMBL7617173 0.79 SLC22A6 (0.57) SLC22A6GABRR1LMNASMN1; SMN2MAPT
SCHEMBL112368 0.78 SLC22A6 (1.00) SLC22A6GABRR1LMNASMN1; SMN2MAPT
SCHEMBL30496763 0.78 SLC22A6 (1.00) SLC22A6GABRR1LMNASMN1; SMN2MAPT
SCHEMBL2491514 0.77 SLC22A6 (0.55) SLC22A6GABRR1LMNASMN1; SMN2
SCHEMBL26138076 0.77 SLC22A6 (0.55) SLC22A6GABRR1LMNASMN1; SMN2MAPT

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
EP-3321300-A1 PARTICULATE SOLID COMPOSITE MATERIAL FOR NUCLEIC ACID PURIFICATION COMPRISING MAGNETIC NANOPARTICLES AXAGARIUS GmbH & Co. KG (DE) 2018-05-16 EP disclosed