SCHEMBL31357968

SCHEMBL31357968

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

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.63
▸ EDNRA P25101 1/20 0.56
▸ ERAP2 Q6P179 5/20 0.53
▸ ECE1 P42892 5/20 0.52
▸ IL1RN P18510 5/20 0.52
▸ ERAP1 Q9NZ08 2/20 0.52
▸ KISS1R Q969F8 1/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MMP2 P08253 2/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ TLR2 O60603 2/20 0.49
▸ ACE P12821 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
SCHEMBL30051725 0.93 EDNRA (0.60) MAGI3EDNRAERAP2ECE1IL1RN
SCHEMBL30465910 0.90 ECE1 (0.60) MAGI3ERAP2ECE1IL1RNERAP1
SCHEMBL29849173 0.89 ECE1 (0.62) ERAP2ECE1IL1RNERAP1MMP2
SCHEMBL30526518 0.88 EDNRA (0.57) MAGI3EDNRAERAP2ECE1KMT2A
SCHEMBL38662564 0.88 ERAP2 (0.55) MAGI3ERAP2ECE1IL1RNERAP1
SCHEMBL30051687 0.87 ECE1 (0.65) EDNRAERAP2ECE1IL1RNERAP1
SCHEMBL30680479 0.87 ERAP2 (0.62) MAGI3EDNRAERAP2ECE1IL1RN
SCHEMBL31720355 0.87 ECE1 (0.59) EDNRAERAP2ECE1IL1RNERAP1
SCHEMBL29619341 0.87 MAGI3 (0.59) MAGI3EDNRAERAP2ECE1KMT2A
SCHEMBL30051740 0.86 ACE (0.59) MAGI3EDNRAERAP2ECE1KMT2A

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-119241645-A Separation and purification method and structure of SERRAWETTIN W class 2 structural analogue 陕西师范大学 2025-01-03 — — CN disclosed
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