SCHEMBL24774255

SCHEMBL24774255

CN[C@@H](CCCCN)C(=O)Nc1ccc(COC)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.49
▸ KLKB1 P03952 1/20 0.47
▸ SPHK1 Q9NYA1 2/20 0.45
▸ PDF Q9HBH1 1/20 0.42
▸ SSTR3 P32745 1/20 0.42
▸ HDAC2 Q92769 1/20 0.41
▸ PLG P00747 1/20 0.40
▸ SIRT1 Q96EB6 4/20 0.39
▸ SIRT2 Q8IXJ6 3/20 0.39
▸ LNPEP Q9UIQ6 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ EPOR P19235 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ ERAP2 Q6P179 1/20 0.38
▸ SIRT3 Q9NTG7 2/20 0.37

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
SCHEMBL21726052 0.88 CA1 (0.51) LTA4HKLKB1PDFSSTR3PLG
SCHEMBL16418621 0.87 KLKB1 (0.49) LTA4HKLKB1PDFSSTR3HDAC2
SCHEMBL17424310 0.86 SPHK1 (0.51) LTA4HKLKB1SPHK1PDFSSTR3
SCHEMBL16479322 0.83 SSTR3 (0.53) LTA4HSSTR3SIRT1SIRT2MMP3
SCHEMBL15810600 0.80 KLKB1 (0.43) LTA4HKLKB1SPHK1PDFSSTR3
SCHEMBL24774073 0.80 KLKB1 (0.44) LTA4HKLKB1PDFSSTR3HDAC2
SCHEMBL13411054 0.78 SSTR3 (0.60) LTA4HSSTR3MMP3
SCHEMBL16645118 0.77 FURIN (0.47) LTA4HKLKB1PDFSSTR3PLG
SCHEMBL14821040 0.76 SSTR3 (0.55) LTA4HSSTR3SIRT1SIRT2MMP3
SCHEMBL14872058 0.76 SSTR3 (0.55) LTA4HSSTR3SIRT1SIRT2MMP3

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-2022253033-A1 CHEMICAL COUPLING LINKER AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-12-08 — — WO disclosed
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