SCHEMBL30821831

SCHEMBL30821831

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

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 8/20 0.68
▸ ERAP2 Q6P179 5/20 0.67
▸ ACE P12821 2/20 0.64
▸ CTSC P53634 1/20 0.63
▸ IL1RN P18510 4/20 0.61
▸ ERAP1 Q9NZ08 3/20 0.61
▸ MMP2 P08253 2/20 0.61
▸ MMP9 P14780 1/20 0.61
▸ MMP8 P22894 1/20 0.61
▸ MMP1 P03956 1/20 0.61

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
SCHEMBL30052756 1.00 ECE1 (0.68) ECE1ERAP2ACECTSCIL1RN
SCHEMBL31502300 1.00 ECE1 (0.68) ECE1ERAP2ACECTSCIL1RN
SCHEMBL30051522 0.96 ERAP2 (0.72) ECE1ERAP2ACECTSCIL1RN
SCHEMBL29993325 0.94 ERAP2 (0.65) ECE1ERAP2ACECTSCIL1RN
SCHEMBL30051305 0.94 ACE (0.72) ECE1ERAP2ACECTSC
SCHEMBL31388803 0.94 ERAP2 (0.72) ECE1ERAP2ACECTSCIL1RN
SCHEMBL32681291 0.93 ERAP2 (0.68) ECE1ERAP2ACEIL1RNERAP1
SCHEMBL30931483 0.93 ERAP2 (0.66) ECE1ERAP2ACECTSCIL1RN
SCHEMBL30099514 0.92 ERAP2 (0.68) ECE1ERAP2ACECTSCIL1RN
SCHEMBL9822631 0.92 ECE1 (0.70) ECE1ERAP2ACEIL1RNERAP1

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-2024083413-A1 TOPICALLY APPLIED PREPARATION WITH ANTIMICROBIAL PEPTIDES BEIERDSORF AG (DE) 2024-04-25 — — WO claimed
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