SCHEMBL29386744

SCHEMBL29386744

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.55
▸ IL23R Q5VWK5 5/20 0.54
▸ CCKBR P32239 8/20 0.53
▸ CASP1 P29466 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ CASP4 P49662 1/20 0.52
▸ CASP5 P51878 1/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ CASP9 P55211 1/20 0.52
▸ CASP6 P55212 1/20 0.52
▸ CASP8 Q14790 1/20 0.52
▸ CASP10 Q92851 1/20 0.52
▸ PCSK9 Q8NBP7 2/20 0.51
▸ CCKAR P32238 2/20 0.50
▸ OPRD1 P41143 2/20 0.50
▸ KISS1R Q969F8 1/20 0.50
▸ OPRM1 P35372 1/20 0.50

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
SCHEMBL30003554 0.88 MAGI3 (0.61) MAGI3IL23RCCKBRCASP1CASP3
SCHEMBL30932147 0.86 MAGI3 (0.56) MAGI3IL23RCCKBRCASP1CASP3
SCHEMBL29616244 0.85 OPRD1 (0.66) MAGI3CCKBRCCKAROPRD1KISS1R
SCHEMBL29914602 0.82 MAGI3 (0.60) MAGI3IL23RCCKBRCASP1CASP3
SCHEMBL30906491 0.82 GLP1R (0.59) IL23RPCSK9KISS1R
SCHEMBL30625852 0.82 OPRD1 (0.58) CCKBRCCKAROPRD1KISS1ROPRM1
SCHEMBL30517375 0.81 PRMT1 (0.51) MAGI3PCSK9OPRD1OPRM1
SCHEMBL30436233 0.81 OPRM1 (0.59) OPRD1OPRM1
SCHEMBL9194598 0.81 CCKBR (0.54) CCKBRCCKAROPRD1OPRM1
SCHEMBL9194589 0.81 CCKBR (0.54) CCKBRCCKAROPRD1OPRM1

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
CN-112618714-B Anti-FLT1 polypeptide mediated synthetic gold cluster and preparation method and application thereof 四川大学 2022-02-22 — — CN disclosed
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