SCHEMBL5314896

SCHEMBL5314896

COC(=O)c1ccc(N)cc1O.COC(=O)c1ccc(NC(C)=O)cc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.83
GAA P10253 2/20 0.74
POLB P06746 2/20 0.55
TDP1 Q9NUW8 2/20 0.53
CDK1 P06493 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK4 Q16654 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
ALDH1A1 P00352 2/20 0.50
EPHX2 P34913 1/20 0.49
MAPT P10636 3/20 0.48
CYP3A4 P08684 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL2127575 0.91 SMN1; SMN2 (1.00) SMN1; SMN2GAAPOLBTDP1CDK1
SCHEMBL616715 0.86 GAA (1.00) SMN1; SMN2GAAPOLBTDP1CA12
Hydrochloric Acid SCHEMBL7414277 0.85 GAA (0.96) SMN1; SMN2GAAPOLBTDP1CA12
Sulfuric Acid SCHEMBL3632099 0.80 GAA (0.87) SMN1; SMN2GAAPOLBTDP1CA12
SCHEMBL11171029 0.80 SMN1; SMN2 (0.69) SMN1; SMN2GAAPOLBTDP1CDK1
Phenyl Aminosalicylate SCHEMBL3310602 0.79 MAPT (0.73) SMN1; SMN2GAAALDH1A1MAPTCYP3A4
SCHEMBL11384574 0.79 SMN1; SMN2 (0.77) SMN1; SMN2GAAPOLBTDP1CDK1
SCHEMBL3363601 0.79 SMN1; SMN2 (0.76) SMN1; SMN2POLBTDP1CDK1CA12
SCHEMBL613429 0.79 SMN1; SMN2 (0.76) SMN1; SMN2GAAPOLBTDP1CDK1
Sulfuric Acid SCHEMBL3629891 0.78 GAA (0.58) SMN1; SMN2GAAPOLBCA12CA1

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
WO-2007048643-A1 NOVEL COMPOUND GLAXO GROUP LIMITED (GB) 2007-05-03 WO disclosed