SCHEMBL31267924

SCHEMBL31267924

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

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 4/20 0.65
▸ MMP1 P03956 1/20 0.57
▸ IL1RN P18510 3/20 0.55
▸ ERAP1 Q9NZ08 2/20 0.55
▸ KISS1R Q969F8 14/20 0.55

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
SCHEMBL30586709 0.98 ERAP2 (0.63) ERAP2MMP1IL1RNERAP1KISS1R
SCHEMBL31232571 0.95 KISS1R (0.59) ERAP2IL1RNERAP1KISS1R
SCHEMBL30544320 0.93 ERAP2 (0.61) ERAP2MMP1IL1RNERAP1KISS1R
SCHEMBL30947673 0.92 ERAP2 (0.57) ERAP2MMP1KISS1R
SCHEMBL30517760 0.92 ERAP2 (0.59) ERAP2IL1RNERAP1KISS1R
SCHEMBL30093020 0.92 NPBWR1 (0.56) ERAP2IL1RNERAP1KISS1R
SCHEMBL31484225 0.92 ERAP2 (0.57) ERAP2MMP1KISS1R
SCHEMBL31735183 0.91 ERAP2 (0.55) ERAP2MMP1IL1RNERAP1
SCHEMBL2277328 0.91 ERAP2 (0.57) ERAP2MMP1IL1RNERAP1KISS1R
SCHEMBL31267917 0.91 ERAP2 (0.57) ERAP2MMP1IL1RNERAP1KISS1R

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-119073492-A Antibacterial agent, antibacterial method and application 上海市农业科学院 2024-12-06 — — CN disclosed
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