SCHEMBL29689510

SCHEMBL29689510

C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.41
▸ ACE P12821 9/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ PREP P48147 1/20 0.39
▸ FAP Q12884 1/20 0.39
▸ REN P00797 4/20 0.37
▸ F2 P00734 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PEPD P12955 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL29749737 0.86 ACE (0.43) SMYD3ACEDPP4PREPFAP
SCHEMBL29568547 0.85 ACE (0.41) ACEDPP4PREPFAPREN
SCHEMBL29474448 0.80 ACE (0.40) ACEDPP4PREPFAPREN
SCHEMBL30697845 0.80 SMYD3 (0.37) SMYD3DPP4F2MASP2
SCHEMBL29474450 0.80 ACE (0.40) ACEDPP4PREPFAPREN
SCHEMBL31564766 0.80 SMYD3 (0.37) SMYD3DPP4F2MASP2
SCHEMBL30785878 0.80 SMYD3 (0.37) SMYD3DPP4F2MASP2
SCHEMBL22380788 0.80 NAA50 (0.44) FAPREN
SCHEMBL29689503 0.79 MASP2 (0.44) SMYD3F2MASP2
SCHEMBL29867437 0.79 PREP (0.44) ACEDPP4PREPFAPREN

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-114574536-A Collagen tripeptide and enzymatic preparation method thereof 华南理工大学 2022-06-03 — — CN disclosed
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