SCHEMBL30093035

SCHEMBL30093035

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAGI3 Q5TCQ9 1/20 0.61
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
RXFP1 Q9HBX9 1/20 0.51
IL23R Q5VWK5 13/20 0.50
EDNRA P25101 1/20 0.48
ECE1 P42892 1/20 0.48
GLP1R P43220 1/20 0.48
MUS81 Q96NY9 1/20 0.48
PTH1R Q03431 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 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
SCHEMBL30092984 1.00 MAGI3 (0.61) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL30092940 1.00 MAGI3 (0.61) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL30093078 0.96 MAGI3 (0.56) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL30093011 0.91 IL23R (0.54) MAGI3IL23R
SCHEMBL30093103 0.91 IL23R (0.51) MAGI3IL23RECE1
SCHEMBL30093039 0.91 IL23R (0.51) MAGI3IL23RECE1
SCHEMBL30305362 0.91 IL23R (0.51) MAGI3IL23RECE1
SCHEMBL30798752 0.91 IL23R (0.51) MAGI3IL23RECE1
SCHEMBL30302936 0.91 IL23R (0.51) MAGI3IL23RECE1
SCHEMBL30302924 0.91 IL23R (0.51) MAGI3IL23RECE1

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-115397836-A Novel antibacterial peptide and application thereof 安尼根有限公司 2022-11-25 CN disclosed