SCHEMBL29914602

SCHEMBL29914602

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.60
▸ CASP1 P29466 1/20 0.54
▸ CASP3 P42574 1/20 0.54
▸ CASP4 P49662 1/20 0.54
▸ CASP5 P51878 1/20 0.54
▸ CASP7 P55210 1/20 0.54
▸ CASP9 P55211 1/20 0.54
▸ CASP6 P55212 1/20 0.54
▸ CASP8 Q14790 1/20 0.54
▸ CASP10 Q92851 1/20 0.54
▸ OPRM1 P35372 2/20 0.52
▸ OPRD1 P41143 2/20 0.52
▸ PCSK9 Q8NBP7 2/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CCKAR P32238 2/20 0.50
▸ CCKBR P32239 2/20 0.50
▸ EDNRA P25101 1/20 0.50
▸ PRMT1 Q99873 1/20 0.48
▸ ACE P12821 2/20 0.48

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
SCHEMBL30563262 0.90 MAGI3 (0.54) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL10537009 0.86 MAGI3 (0.61) MAGI3PCSK9NPBWR1IL23R
SCHEMBL9069771 0.86 MAGI3 (0.77) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL30932147 0.86 MAGI3 (0.56) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL30387769 0.85 OPRD1 (0.58) OPRM1OPRD1CCKARCCKBR
SCHEMBL30382016 0.85 PRMT1 (0.57) MAGI3OPRM1OPRD1PRMT1NPBWR1
SCHEMBL29603769 0.85 ERAP2 (0.62) MAGI3KMT2AL3MBTL1EDNRAACE
SCHEMBL29603848 0.85 ERAP2 (0.62) MAGI3KMT2AL3MBTL1EDNRAACE
SCHEMBL31258887 0.84 EDNRA (0.56) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL29493326 0.84 PRMT1 (0.63) MAGI3OPRM1OPRD1PRMT1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111200976-B Radioactive liquid embolism 微仙美国有限公司 2023-07-07 — — CN disclosed
CN-115279427-A Liquid embolus 微仙美国有限公司 2022-11-01 — — CN disclosed
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