SCHEMBL18594580

SCHEMBL18594580

COCCOCCNC(=O)OCc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.83
LMNA P02545 1/20 0.83
L3MBTL1 Q9Y468 3/20 0.60
MAPT P10636 1/20 0.59
HTT P42858 2/20 0.57
TGM2 P21980 1/20 0.51
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
SLC1A3 P43003 1/20 0.48
SLC1A1 P43005 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL8389256 0.94 SMN1; SMN2 (0.74) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL30823376 0.93 SMN1; SMN2 (0.97) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL14288938 0.92 LMNA (0.69) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL5063193 0.91 LMNA (0.77) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL7372302 0.91 SMN1; SMN2 (1.00) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL7289871 0.89 SMN1; SMN2 (0.78) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL30229351 0.89 SMN1; SMN2 (0.83) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL29399108 0.89 SMN1; SMN2 (0.83) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL15164979 0.89 SMN1; SMN2 (0.83) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL30723183 0.87 SMN1; SMN2 (0.62) SMN1; SMN2LMNAL3MBTL1MAPTHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073622-A2 RADIOPHARMACEUTICAL COMPOSITIONS TARGETING EPHRIN TYPE-A RECEPTOR 2 AND USES THEREOF RAYZEBIO, INC. (US) 2024-04-04 WO disclosed
WO-2023014979-A9 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS RAYZEBIO, INC. (US) 2023-04-27 WO disclosed
WO-2023014979-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS RAYZEBIO, INC. (US) 2023-02-09 WO disclosed
US-9585975-B2 MRI contrast agents NORTHWESTERN UNIVERSITY (US) 2017-03-07 US disclosed