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SCHEMBL29470818

SCHEMBL29470818

C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@H](CC1=NCNC1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 2/20 0.50
▸ EPHA2 P29317 2/20 0.50
▸ NMUR1 Q9HB89 1/20 0.48
▸ CXCR4 P61073 2/20 0.47
▸ CALCR P30988 4/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ CXCL8 P10145 3/20 0.47
▸ TFPI P10646 3/20 0.47
▸ F2 P00734 1/20 0.46

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
SCHEMBL30954812 0.83 NPY2R (0.59) CXCR4CALCRTFPI
SCHEMBL31239104 0.81 NMUR2 (0.58) NMUR2NMUR1
SCHEMBL31267154 0.78 NMUR2 (0.61) NMUR2NMUR1F2
SCHEMBL30930530 0.78 NPY2R (0.54) NMUR2EPHA2NMUR1CXCL8
SCHEMBL31239147 0.78 NMUR2 (0.56) NMUR2NMUR1CXCR4CALCR
SCHEMBL30788346 0.78 TFPI (0.56) NMUR2NMUR1CXCR4TFPI
SCHEMBL30788354 0.78 TFPI (0.55) NMUR2NMUR1CXCR4TFPI
SCHEMBL31239130 0.78 NMUR2 (0.55) NMUR2NMUR1CALCR
SCHEMBL31603946 0.77 F2 (0.62) EPHA2CALCRTFPIF2
SCHEMBL31366734 0.76 SLC6A2 (0.55) NMUR2NMUR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114384194-B Method for high-flux detection of polypeptide 湖南中晟全肽生化有限公司 2023-09-22 — — CN disclosed
CN-114384194-A Method for detecting polypeptide with high flux 湖南中晟全肽生化有限公司 2022-04-22 — — CN disclosed
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