SCHEMBL30255956

SCHEMBL30255956

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.58
▸ PRMT1 Q99873 1/20 0.57
▸ OPRM1 P35372 1/20 0.55
▸ OPRD1 P41143 1/20 0.55
▸ ECE1 P42892 4/20 0.54
▸ ERAP2 Q6P179 1/20 0.54
▸ LTA4H P09960 1/20 0.54
▸ ALOX15 P16050 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MPO P05164 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HIF1A Q16665 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
SCHEMBL30605164 0.96 ACE (0.59) ACEOPRM1OPRD1ECE1ERAP2
SCHEMBL9753233 0.94 PRMT1 (0.56) ACEPRMT1OPRM1OPRD1ECE1
SCHEMBL9753236 0.94 PRMT1 (0.56) ACEPRMT1OPRM1OPRD1ECE1
SCHEMBL31742584 0.90 PRMT1 (0.59) ACEPRMT1OPRM1OPRD1ERAP2
SCHEMBL30052764 0.90 KDM4E (0.62) ACEOPRM1OPRD1ECE1ERAP2
SCHEMBL10749608 0.89 OPRD1 (0.68) ACEPRMT1OPRM1OPRD1ECE1
SCHEMBL30605162 0.88 ECE1 (0.57) ACEPRMT1OPRM1OPRD1ECE1
SCHEMBL30605176 0.88 ECE1 (0.57) ACEPRMT1OPRM1OPRD1ECE1
SCHEMBL29683525 0.88 ACE (0.56) ACEPRMT1OPRM1OPRD1ECE1
SCHEMBL5583846 0.88 ACE (0.69) ACEECE1ERAP2ALOX15KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115845023-B Application of oyster polypeptide in preparation of xanthine oxidase inhibiting drugs 中国海洋大学 2024-09-10 — — CN disclosed
CN-116731103-B Small molecule peptide and application thereof in inhibiting xanthine oxidase 中国海洋大学 2024-05-28 — — CN disclosed
CN-115819510-B Small molecule peptide and application thereof in inhibiting xanthine oxidase 中国海洋大学 2024-03-29 — — CN disclosed
CN-116731103-A Small molecule peptide and application thereof in inhibiting xanthine oxidase 中国海洋大学 2023-09-12 — — CN disclosed
CN-115845023-A Application of oyster polypeptide in preparation of medicine for inhibiting xanthine oxidase 中国海洋大学 2023-03-28 — — CN disclosed
CN-115819510-A Small molecular peptide and application thereof in inhibiting xanthine oxidase 中国海洋大学 2023-03-21 — — CN disclosed
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