SCHEMBL29794215

SCHEMBL29794215

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.60
▸ MMP1 P03956 8/20 0.56
▸ ERAP2 Q6P179 4/20 0.53
▸ MMP2 P08253 3/20 0.52
▸ MMP8 P22894 3/20 0.52
▸ MAGI3 Q5TCQ9 1/20 0.52
▸ IL1RN P18510 3/20 0.52
▸ CTSB P07858 1/20 0.52
▸ CTSK P43235 1/20 0.52
▸ PCSK9 Q8NBP7 1/20 0.51
▸ MMP9 P14780 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ MMP7 P09237 1/20 0.49
▸ ERAP1 Q9NZ08 2/20 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
SCHEMBL31296564 0.88 EDNRA (0.60) EDNRAMMP1ERAP2MMP2MMP8
SCHEMBL7398427 0.84 EDNRA (0.66) EDNRAMMP1MMP2MMP8MAGI3
SCHEMBL7398428 0.84 EDNRA (0.66) EDNRAMMP1MMP2MMP8MAGI3
SCHEMBL26444793 0.84 ERAP2 (0.61) EDNRAMMP1ERAP2MMP2MMP8
SCHEMBL7400066 0.83 MAGI3 (0.66) EDNRAMMP1ERAP2MMP2MMP8
SCHEMBL7400067 0.83 MAGI3 (0.66) EDNRAMMP1ERAP2MMP2MMP8
SCHEMBL38664666 0.83 MAGI3 (0.57) EDNRAMAGI3CTSBCTSK
SCHEMBL31211772 0.83 ERAP2 (0.62) EDNRAMMP1ERAP2IL1RNERAP1
SCHEMBL7400146 0.83 MAGI3 (0.53) EDNRAMMP1ERAP2MMP2MMP8
SCHEMBL7400150 0.83 MAGI3 (0.53) EDNRAMMP1ERAP2MMP2MMP8

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-113402471-B Siderophore compounds derived from plant endophytic fungi as well as preparation method and application of siderophore compounds 华东理工大学 2022-09-13 — — CN disclosed
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