SCHEMBL28876876

SCHEMBL28876876

O=C(O)[CH]C(=O)O.[CH2]C(O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
GABRR1 P24046 2/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.33
HDAC2 Q92769 1/20 0.32
TSHR P16473 1/20 0.30
GPR84 Q9NQS5 4/20 0.30
TET2 Q6N021 3/20 0.30
TET3 O43151 1/20 0.30
TET1 Q8NFU7 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
SCHEMBL35751 0.87
SCHEMBL28112122 0.84 SLC22A6 (0.53) SLC22A6SMN1; SMN2GABRR1LMNATDP1
SCHEMBL146945 0.84
SCHEMBL28428313 0.84
SCHEMBL9321629 0.84
Ammonia Solution, Strong SCHEMBL9321596 0.84
SCHEMBL168557 0.67
SCHEMBL9194259 0.67 SLC22A6 (0.60) SLC22A6SMN1; SMN2GABRR1LMNATDP1
SCHEMBL7904650 0.66
SCHEMBL26981020 0.66 SLC22A6 (0.50) 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
CN-110316997-A USE OF CELLULOSE ETHER COMPOUNDS FOR INCREASING THE OPEN TIME AND IMPROVING THE WETTABILITY OF CEMENT-BASED MORTARS SE泰勒士有限责任两合公司 2019-10-11 CN claimed