SCHEMBL31296564

SCHEMBL31296564

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.60
▸ ERAP2 Q6P179 2/20 0.53
▸ ECE1 P42892 4/20 0.53
▸ MMP2 P08253 8/20 0.53
▸ MMP1 P03956 7/20 0.53
▸ MMP8 P22894 6/20 0.53
▸ MMP9 P14780 4/20 0.52
▸ KMT2A Q03164 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ IL1RN P18510 1/20 0.49
▸ MMP7 P09237 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
SCHEMBL29867617 0.90 EDNRA (0.53) EDNRAECE1MMP2MMP1MMP8
SCHEMBL31442259 0.89 EDNRA (0.61) EDNRAERAP2ECE1MMP2MMP1
SCHEMBL30426315 0.89 ERAP2 (0.53) EDNRAERAP2ECE1MMP2MMP1
SCHEMBL31442110 0.88 EDNRA (0.60) EDNRAERAP2ECE1MMP2MMP1
SCHEMBL29794215 0.88 EDNRA (0.60) EDNRAERAP2MMP2MMP1MMP8
SCHEMBL30051825 0.85 ACE (0.64) EDNRAECE1KMT2AL3MBTL1
SCHEMBL29380319 0.84 ERAP2 (0.64) ERAP2ECE1MMP2MMP1MMP8
SCHEMBL24933037 0.83 CTSL (0.57) —
SCHEMBL6655016 0.83 CTSL (0.57) —
SCHEMBL31258887 0.83 EDNRA (0.56) EDNRAERAP2IL1RN

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-119386261-A Preparation method of amino acid-based polypeptide hydrogel for promoting skin repair 昆明医科大学 2025-02-07 — — CN disclosed
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