SCHEMBL31571452

SCHEMBL31571452

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.58
▸ MMP1 P03956 4/20 0.58
▸ MMP9 P14780 4/20 0.58
▸ MMP8 P22894 4/20 0.58
▸ ACE P12821 2/20 0.58
▸ ECE1 P42892 5/20 0.56
▸ MMP3 P08254 1/20 0.55
▸ ERAP2 Q6P179 1/20 0.54
▸ CCKAR P32238 1/20 0.54
▸ CCKBR P32239 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ APAF1 O14727 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ GHSR Q92847 1/20 0.53

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
SCHEMBL9822619 0.94 ACE (0.61) MMP1MMP9MMP8ACEECE1
SCHEMBL29493334 0.94 ACE (0.61) MMP1MMP9MMP8ACEECE1
SCHEMBL30350136 0.87 ACE (0.56) MMP2MMP1MMP9MMP8ACE
SCHEMBL29895093 0.87 ACE (0.56) MMP2MMP1MMP9MMP8ACE
SCHEMBL29828471 0.87 KDM4E (0.59) MMP2MMP1MMP9MMP8ACE
SCHEMBL3855087 0.87 ACE (0.56) MMP1MMP9MMP8ACEECE1
SCHEMBL3855086 0.87 ACE (0.56) MMP1MMP9MMP8ACEECE1
SCHEMBL30051742 0.87 ACE (0.68) ACEECE1ERAP2
SCHEMBL30646331 0.87 ERAP2 (0.62) MMP2MMP1MMP9MMP8ACE
SCHEMBL31016488 0.86 ACE (0.51) MMP2MMP1MMP9MMP8ACE

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-120005928-A Dynamic regulation and control system, strain, construction method of strain and application of strain in microbial fuel cell 天津科技大学 2025-05-16 — — CN disclosed
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