SCHEMBL27433784

SCHEMBL27433784

O=C(O)CC(O)C(O)(O)C(=O)O.[CaH2]

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.50
PGD P52209 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
GABRR1 P24046 2/20 0.37
LMNA P02545 1/20 0.37
CPT2 P23786 1/20 0.37
ACLY P53396 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.30
GPR84 Q9NQS5 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
SCHEMBL110956 0.97 SLC22A6 (0.52) SLC22A6PGDSMN1; SMN2GABRR1LMNA
SCHEMBL27811562 0.95 SLC22A6 (0.50) SLC22A6PGDSMN1; SMN2GABRR1LMNA
SCHEMBL27787811 0.95 SLC22A6 (0.50) SLC22A6PGDSMN1; SMN2GABRR1LMNA
Oxalic Acid SCHEMBL27805597 0.87 SLC22A6 (0.42) SLC22A6PGDSMN1; SMN2GABRR1LMNA
Dichloroacetic Acid SCHEMBL9558904 0.87 SLC22A6 (0.42) SLC22A6PGDSMN1; SMN2GABRR1LMNA
SCHEMBL9467946 0.78 SLC22A6 (0.48) SLC22A6PGDSMN1; SMN2GABRR1LMNA
SCHEMBL10576547 0.77 SLC22A6 (0.46) SLC22A6PGDSMN1; SMN2GABRR1LMNA
SCHEMBL27493276 0.74 OR51E2 (0.39) SLC22A6LMNACPT2ACLYALDH1A1
SCHEMBL9721056 0.73 TET2 (0.46) SLC22A6LMNA
SCHEMBL2784984 0.72 TSHR (0.43) SLC22A6PGDCPT2ACLYALDH1A1

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-1104890-A Cation-complexed polysacharides HERCULES INC (US) 1995-07-12 CN disclosed