SCHEMBL903426

SCHEMBL903426

C=C(CCNC(=O)OCc1ccccc1)OCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
LMNA P02545 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TGM2 P21980 1/20 0.53
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
FOLH1 Q04609 3/20 0.48
MAPT P10636 1/20 0.48
CPB1 P15086 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A1 P43005 1/20 0.47
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
ELANE P08246 1/20 0.45
PRSS3 P35030 1/20 0.45
TPSAB1 Q15661 1/20 0.45

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
SCHEMBL125651 0.86 HTT (0.67) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL10281908 0.84 SMN1; SMN2 (0.53) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL903460 0.84 LMNA (0.71) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL127662 0.84 HTT (0.82) HTTLMNASMN1; SMN2TGM2KEAP1
Hydrochloric Acid SCHEMBL7400993 0.82 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL22296876 0.81 LMNA (0.68) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL5355614 0.81 SMN1; SMN2 (0.82) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL13055383 0.80 LMNA (0.80) HTTLMNASMN1; SMN2TGM2KEAP1
Glycolic Acid SCHEMBL148706 0.80 HTT (0.75) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL4518379 0.79 SMN1; SMN2 (0.83) HTTLMNASMN1; SMN2TGM2KEAP1

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-2012044832-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS FETZER OLIVER S (US) 2012-04-05 WO disclosed