SCHEMBL30497472

SCHEMBL30497472

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.55
▸ TACR1 P25103 1/20 0.54
▸ CCKBR P32239 3/20 0.53
▸ C5AR1 P21730 2/20 0.53
▸ DPP3 Q9NY33 1/20 0.53
▸ F2 P00734 1/20 0.52
▸ BDKRB2 P30411 1/20 0.52
▸ NTSR2 O95665 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ SORT1 Q99523 1/20 0.52
▸ OPRM1 P35372 4/20 0.52
▸ OPRD1 P41143 3/20 0.52
▸ CCKAR P32238 2/20 0.51

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
SCHEMBL30544197 0.90 CXCR4 (0.55) CXCR4TACR1CCKBRC5AR1DPP3
SCHEMBL30665991 0.90 CXCR4 (0.60) CXCR4TACR1C5AR1OPRM1OPRD1
SCHEMBL30231933 0.88 DPP3 (0.60) TACR1CCKBRC5AR1DPP3F2
SCHEMBL29465231 0.86 CXCR4 (0.56) CXCR4TACR1CCKBRC5AR1OPRD1
SCHEMBL30507888 0.85 DPP3 (0.57) CXCR4TACR1DPP3NTSR2NTSR1
SCHEMBL30518167 0.85 C5AR1 (0.69) CXCR4C5AR1OPRM1OPRD1
SCHEMBL29556709 0.85 C5AR1 (0.61) CCKBRC5AR1OPRM1OPRD1
SCHEMBL29555997 0.84 C5AR1 (0.60) CCKBRC5AR1OPRM1OPRD1
SCHEMBL30310835 0.84 DPP3 (0.57) TACR1CCKBRDPP3NTSR2NTSR1
SCHEMBL30974490 0.84 CXCR4 (0.58) CXCR4C5AR1DPP3NTSR2NTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514912-B Straw mushroom polypeptide for resisting skin oxidative damage and application thereof 上海市农业科学院 2024-03-29 — — CN claimed
CN-116514912-A Straw mushroom polypeptide for resisting skin oxidative damage and application thereof 上海市农业科学院 2023-08-01 — — CN claimed
CN-116514912-B Straw mushroom polypeptide for resisting skin oxidative damage and application thereof 上海市农业科学院 2024-03-29 — — CN disclosed
CN-116514912-A Straw mushroom polypeptide for resisting skin oxidative damage and application thereof 上海市农业科学院 2023-08-01 — — CN disclosed
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