SCHEMBL30538334

SCHEMBL30538334

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.67
▸ VIPR1 P32241 1/20 0.56
▸ GLP1R P43220 4/20 0.55
▸ ECE1 P42892 1/20 0.55
▸ MUS81 Q96NY9 1/20 0.55
▸ OPRL1 P41146 2/20 0.54
▸ NR3C1 P04150 2/20 0.54
▸ KEAP1 Q14145 1/20 0.54
▸ OPRD1 P41143 1/20 0.54
▸ VIPR2 P41587 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
SCHEMBL29826865 0.90 TFPI (0.66) TFPINR3C1KEAP1OPRD1
SCHEMBL30434320 0.90 TFPI (0.66) TFPINR3C1KEAP1OPRD1
SCHEMBL30601869 0.90 TFPI (0.79) TFPIVIPR1GLP1RECE1MUS81
SCHEMBL30310794 0.90 TFPI (0.62) TFPIOPRL1
SCHEMBL29364983 0.89 TFPI (0.63) TFPIVIPR1GLP1RECE1MUS81
SCHEMBL29974215 0.89 TFPI (0.68) TFPIKEAP1
SCHEMBL30116705 0.89 TFPI (0.66) TFPIVIPR1GLP1RECE1MUS81
SCHEMBL29395525 0.89 VIPR1 (0.62) TFPIVIPR1GLP1RECE1MUS81
SCHEMBL29777861 0.88 TFPI (0.62) TFPIVIPR1OPRD1VIPR2
SCHEMBL30310937 0.87 TFPI (0.58) TFPIOPRD1

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-116478235-A Ham flavor peptide and preparation method thereof 昆明理工大学 2023-07-25 — — CN disclosed
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