SCHEMBL30658624

SCHEMBL30658624

CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.55
▸ CTSK P43235 1/20 0.55
▸ ACACB O00763 1/20 0.54
▸ ITGB3 P05106 2/20 0.50
▸ ITGA2B P08514 2/20 0.50
▸ FOLH1 Q04609 1/20 0.50
▸ CPA1 P15085 3/20 0.49
▸ ACE2 Q9BYF1 3/20 0.49
▸ MME P08473 3/20 0.49
▸ ACE P12821 3/20 0.49
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 1/20 0.48
▸ CPB1 P15086 1/20 0.47
▸ CPA2 P48052 1/20 0.47
▸ CPA4 Q9UI42 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ REN P00797 1/20 0.46
▸ MMP1 P03956 1/20 0.45
▸ MMP3 P08254 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
SCHEMBL29401256 0.89 ACACB (0.61) ACACBITGB3ITGA2BCPA1ACE2
SCHEMBL29398348 0.89 ACACB (0.61) ACACBITGB3ITGA2BCPA1ACE2
SCHEMBL29666997 0.85 LTA4H (0.54) CTSLCTSKACACBFOLH1MME
SCHEMBL30423308 0.83 FOLH1 (0.71) FOLH1CPA1ACE2MMEACE
SCHEMBL8258366 0.83 FOLH1 (0.50) CTSLCTSKACACBITGB3ITGA2B
SCHEMBL22498360 0.83 FOLH1 (0.71) FOLH1CPA1ACE2MMEACE
SCHEMBL30845367 0.83 FOLH1 (0.71) FOLH1CPA1ACE2MMEACE
SCHEMBL5869302 0.83 FOLH1 (0.50) CTSLCTSKACACBITGB3ITGA2B
SCHEMBL30777486 0.83 MME (0.65) CPA1ACE2MMEACECPB1
SCHEMBL15692334 0.83 MME (0.65) CPA1ACE2MMEACECPB1

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
EP-3954697-B1 FLUORESCENT PROBE FOR DETECTING CALPAIN ACTIVITY UNIV TOKYO (JP) 2024-01-03 — — EP disclosed
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