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SCHEMBL29611486

SCHEMBL29611486

CSCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.56
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ NPY5R Q15761 1/20 0.54
▸ CXCL8 P10145 7/20 0.54
▸ CXCR4 P61073 1/20 0.54
▸ GLP1R P43220 6/20 0.52
▸ GIPR P48546 6/20 0.52
▸ PTH1R Q03431 1/20 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
SCHEMBL29440518 1.00 KEAP1 (0.56) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30576993 0.88 CXCR4 (0.61) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30690100 0.87 CXCL8 (0.56) CXCL8CXCR4GLP1R
SCHEMBL30906406 0.86 NPY1R (0.56) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30262141 0.85 CXCL8 (0.56) KEAP1CXCL8
SCHEMBL31247321 0.84 CAPN1 (0.58) CXCL8CXCR4
SCHEMBL31182771 0.84 CXCR4 (0.62) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30906519 0.84 NPY1R (0.54) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31073513 0.83 CXCR4 (0.59) NPY1RNPY2RNPY4RNPY5RCXCL8
SCHEMBL30690108 0.83 CAPN1 (0.59) CXCL8CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11512326-B2 Small angiotensin peptide expression system in mammalian cells UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-11-29 — — US disclosed
US-20220298474-A1 METHOD FOR CULTURING DERMAL PAPILLA CELLS KAO CORPORATION (JP) 2022-09-22 — — US disclosed
EP-4011447-A1 METHOD FOR CULTURING DERMAL PAPILLA CELLS KAO CORPORATION (JP) 2022-06-15 — — EP disclosed
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