SCHEMBL23408675

SCHEMBL23408675

CC(C)CC(C)OC(=O)C(N)CC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.42
▸ SLC1A3 P43003 2/20 0.37
▸ SLC1A2 P43004 2/20 0.37
▸ ANPEP P15144 5/20 0.36
▸ LAP3 P28838 3/20 0.36
▸ ERAP1 Q9NZ08 1/20 0.36
▸ CACNA2D1 P54289 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CACNB3 P54284 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CACNA2D2 Q9NY47 1/20 0.33

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
SCHEMBL23408664 0.85 SLC7A5 (0.47) SLC7A5SLC1A3SLC1A2ANPEPLAP3
SCHEMBL28385591 0.83 BHMT (0.34) SLC7A5CACNA2D1LMNATSHRCACNB3
SCHEMBL23408678 0.82 SLC7A5 (0.43) SLC7A5SLC1A3SLC1A2ANPEPLAP3
SCHEMBL4958595 0.82 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPLAP3
SCHEMBL4775852 0.82 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPLAP3
SCHEMBL6130798 0.82 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPLAP3
SCHEMBL7781912 0.82 TSHR (0.37) SLC7A5LMNATSHRCHRM2CHRM4
SCHEMBL7781916 0.82 TSHR (0.37) SLC7A5LMNATSHRCHRM2CHRM4
SCHEMBL28327992 0.82 LMNA (0.32) SLC7A5LMNATSHRCHRM2CHRM4
SCHEMBL23408879 0.81 ALOX15 (0.47) SLC7A5SLC1A3SLC1A2ANPEPLAP3

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
US-20210155771-A1 PLASTICIZER AND PLASTIC PRODUCT LARGAN MEDICAL CO., LTD. (TW) 2021-05-27 — — US disclosed
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