SCHEMBL22343025

SCHEMBL22343025

CC(C)(C)OC(=O)C[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ OPRD1 P41143 4/20 0.48
▸ CCKBR P32239 4/20 0.48
▸ CCKAR P32238 3/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ PSMB8 P28062 1/20 0.47
▸ PSMB9 P28065 1/20 0.47
▸ PSMB5 P28074 1/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CTSS P25774 2/20 0.46
▸ GNPAT O15228 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ ACE P12821 1/20 0.45
▸ REN P00797 1/20 0.45

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
SCHEMBL22343065 0.92 MAPT (0.53) PAX8TDP1OPRD1CCKBRCCKAR
SCHEMBL29683965 0.89 CCKBR (0.50) PAX8TDP1OPRD1CCKBRCCKAR
SCHEMBL13956678 0.89 PAX8 (0.52) PAX8TDP1MMP1MMP3MMP9
SCHEMBL17232586 0.89 PAX8 (0.53) PAX8TDP1MMP1MMP3MMP9
SCHEMBL17254230 0.89 PAX8 (0.53) PAX8TDP1MMP1MMP3MMP9
SCHEMBL3387924 0.87 PAX8 (0.53) PAX8TDP1MMP1MMP3MMP9
SCHEMBL23352495 0.87 REN (0.56) PAX8TDP1GNPATREN
SCHEMBL16908988 0.86 ACE (0.59) PAX8TDP1MMP1MMP3MMP9
SCHEMBL13702233 0.86 ACE (0.59) PAX8TDP1MMP1MMP3MMP9
SCHEMBL21981319 0.85 REN (0.53) PAX8TDP1MMP1MMP3MMP9

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
WO-2020162393-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND 日産化学株式会社 2020-08-13 — — WO disclosed
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