SCHEMBL29630446

SCHEMBL29630446

NC(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.47
▸ GSTK1 Q9Y2Q3 1/20 0.47
▸ ECE1 P42892 2/20 0.43
▸ GLO1 Q04760 1/20 0.42
▸ BACE1 P56817 5/20 0.42
▸ CTSD P07339 3/20 0.42
▸ DPP4 P27487 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ ENPEP Q07075 5/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GRM8 O00222 1/20 0.38
▸ GRM6 O15303 1/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GSR P00390 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GRIK1 P39086 1/20 0.38
▸ GRM5 P41594 1/20 0.38

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
SCHEMBL29431016 0.93 PTGS1 (0.44) PTGS1GSTK1ECE1GLO1BACE1
SCHEMBL29374494 0.92 PTGS1 (0.48) PTGS1GSTK1ECE1GLO1BACE1
SCHEMBL29814935 0.92 GLO1 (0.43) PTGS1GSTK1GLO1BACE1CTSD
SCHEMBL30099638 0.90 PTGS1 (0.48) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL30320239 0.90 PTGS1 (0.50) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL31314398 0.88 BACE1 (0.49) ECE1BACE1CTSDDPP4DPP8
SCHEMBL30423552 0.88 BACE1 (0.49) ECE1BACE1CTSDDPP4DPP8
SCHEMBL29888861 0.88 PTGS1 (0.43) PTGS1GSTK1ECE1GLO1BACE1
SCHEMBL30423808 0.87 PTGS1 (0.48) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL1487366 0.87 ECE1 (0.46) PTGS1GSTK1ECE1GLO1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
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