SCHEMBL31442259

SCHEMBL31442259

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.61
▸ ERAP2 Q6P179 9/20 0.56
▸ MAGI3 Q5TCQ9 1/20 0.53
▸ ECE1 P42892 2/20 0.51
▸ IL1RN P18510 8/20 0.51
▸ ERAP1 Q9NZ08 5/20 0.51
▸ MMP2 P08253 3/20 0.51
▸ MMP1 P03956 3/20 0.51
▸ MMP8 P22894 2/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ CTSB P07858 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL31442110 0.90 EDNRA (0.60) EDNRAERAP2ECE1IL1RNERAP1
SCHEMBL31296564 0.89 EDNRA (0.60) EDNRAERAP2ECE1IL1RNMMP2
SCHEMBL30834731 0.89 ACE (0.53) ERAP2MAGI3ECE1MMP2MMP1
SCHEMBL30051762 0.86 ACE (0.56) ECE1MMP2MMP1MMP8MMP9
SCHEMBL29380319 0.85 ERAP2 (0.64) ERAP2ECE1IL1RNERAP1MMP2
SCHEMBL31258887 0.85 EDNRA (0.56) EDNRAERAP2MAGI3IL1RNERAP1
SCHEMBL29359346 0.84 ERAP2 (0.57) EDNRAERAP2MAGI3ECE1IL1RN
SCHEMBL32681291 0.83 ERAP2 (0.68) ERAP2ECE1IL1RNERAP1MMP2
SCHEMBL30093046 0.83 EDNRA (0.69) EDNRAERAP2ECE1IL1RNERAP1
SCHEMBL30725658 0.83 ACE (0.56) ECE1

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-12234299-B2 Peptides for inducing bacteriocin synthesis and methods to identify and/or select and/or optimize the same SYNGULON S.A. (BE) 2025-02-25 — — US disclosed
Send feedback