SCHEMBL23408678

SCHEMBL23408678

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.43
▸ SLC1A3 P43003 3/20 0.38
▸ SLC1A2 P43004 3/20 0.38
▸ ANPEP P15144 7/20 0.38
▸ LAP3 P28838 5/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ RNPEP Q9H4A4 2/20 0.33
▸ DNPEP Q9ULA0 2/20 0.33
▸ SLC1A1 P43005 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CACNA2D1 P54289 2/20 0.31
▸ CACNB3 P54284 1/20 0.31
▸ CACNA1C Q13936 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31

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 0.82 SLC7A5 (0.47) SLC7A5SLC1A3SLC1A2ANPEPLAP3
SCHEMBL23408675 0.82 SLC7A5 (0.42) SLC7A5SLC1A3SLC1A2ANPEPLAP3
SCHEMBL23408741 0.82 SLC7A5 (0.45) SLC7A5SLC1A3SLC1A2ANPEPLAP3
SCHEMBL10363544 0.80 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPLAP3
SCHEMBL23408842 0.80 SLC7A5 (0.43) SLC7A5SLC1A3SLC1A2ANPEPLAP3
SCHEMBL10363543 0.80 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPLAP3
SCHEMBL19361332 0.79 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2ANPEPLAP3
SCHEMBL17662348 0.79 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2ANPEPLAP3
SCHEMBL23656867 0.79 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2ANPEPLAP3
SCHEMBL14224953 0.77 SLC7A5 (0.45) 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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