SCHEMBL23417028

SCHEMBL23417028

COP(=O)(OCCNC(=O)OCc1ccccc1)OCC[N+](C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HTT P42858 1/20 0.47
▸ TGM2 P21980 1/20 0.46
▸ KEAP1 Q14145 2/20 0.42
▸ NFE2L2 Q16236 2/20 0.42
▸ KYNU Q16719 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41

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
SCHEMBL22208020 0.87 LMNA (0.56) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL9932446 0.81 LMNA (0.63) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL3419506 0.79 SMN1; SMN2 (0.60) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL5063193 0.79 LMNA (0.77) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL5581831 0.78 LMNA (0.70) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL29592964 0.76 LMNA (0.68) LMNASMN1; SMN2L3MBTL1MAPTHTT
Bromide SCHEMBL30975309 0.75 HTT (0.63) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL9932079 0.75 LMNA (0.62) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL18594580 0.74 SMN1; SMN2 (0.83) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL22166825 0.73 HTT (0.68) LMNASMN1; SMN2L3MBTL1MAPTHTT

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-2021099554-A1 PROCESS OF PREPARING ARACHIDONOYLETHANOLAMINE ANALOGUES TRAVECTA THERAPEUTICS PTE. LTD. (SG) 2021-05-27 — — WO disclosed
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