SCHEMBL30688558

SCHEMBL30688558

CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ REN P00797 1/20 0.44
▸ MMP13 P45452 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ ATM Q13315 1/20 0.41
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CTSS P25774 2/20 0.39
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SLC7A5 Q01650 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL22457743 1.00 ITGB3 (0.45) ITGB3ITGA2BRENMMP13MMP2
SCHEMBL30688551 1.00 ITGB3 (0.45) ITGB3ITGA2BRENMMP13MMP2
SCHEMBL1401042 0.95 MMP13 (0.46) ITGB3ITGA2BRENMMP13MMP2
SCHEMBL65502 0.95 MMP13 (0.46) ITGB3ITGA2BRENMMP13MMP2
SCHEMBL2476924 0.95 MMP13 (0.46) ITGB3ITGA2BRENMMP13MMP2
SCHEMBL6326103 0.89 REN (0.45) RENMMP13MMP9ATMITGA4
SCHEMBL24435948 0.88 NPY5R (0.45) RENMMP13ATMITGA4ITGB7
SCHEMBL3268338 0.87 REN (0.44) ITGB3ITGA2BRENMMP13ATM
SCHEMBL1401223 0.87 ALDH1A1 (0.48) ITGB3ITGA2BRENMMP13ACE
SCHEMBL18248052 0.87 ALDH1A1 (0.48) ITGB3ITGA2BRENMMP13ACE

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-111164092-B Process for producing peptide compound 日产化学株式会社 2023-12-26 — — CN disclosed
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