SCHEMBL28026786

SCHEMBL28026786

O=C(O)CC(O)C(=O)OS.[LiH]

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.42
GABRR1 P24046 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.32
TET2 Q6N021 3/20 0.31
KDM4A O75164 2/20 0.31
KDM4C Q9H3R0 2/20 0.31
KDM2A Q9Y2K7 2/20 0.31
TET3 O43151 1/20 0.31

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
SCHEMBL28026299 0.98 SMN1; SMN2 (0.52) SMN1; SMN2SLC22A6GABRR1LMNATDP1
Ammonia Solution, Strong SCHEMBL28026257 0.95 SMN1; SMN2 (0.50) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL28026256 0.95 SMN1; SMN2 (0.50) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL28014508 0.78
SCHEMBL180343 0.77 SMN1; SMN2 (0.57) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL23045309 0.75 SMN1; SMN2 (0.55) SMN1; SMN2SLC22A6GABRR1LMNATDP1
Water SCHEMBL11414435 0.75 SMN1; SMN2 (0.55) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL1906818 0.75 SMN1; SMN2 (0.55) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL4442369 0.75 SMN1; SMN2 (0.55) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL5586418 0.74 SMN1; SMN2 (0.48) 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
CN-104784062-A Liquid composition MILBON CO LTD 2015-07-22 CN disclosed