SCHEMBL29630499

SCHEMBL29630499

CSCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.57
▸ BACE1 P56817 7/20 0.55
▸ LTA4H P09960 1/20 0.54
▸ FNTA P49354 3/20 0.53
▸ FNTB P49356 3/20 0.53
▸ PGGT1B P53609 3/20 0.53
▸ BACE2 Q9Y5Z0 2/20 0.53

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
SCHEMBL9597700 0.97 LTA4H (0.56) NAALAD2BACE1LTA4HFNTAFNTB
SCHEMBL9597693 0.97 LTA4H (0.56) NAALAD2BACE1LTA4HFNTAFNTB
SCHEMBL29630374 0.95 BACE1 (0.62) BACE1BACE2
SCHEMBL30050929 0.93 FNTA (0.59) LTA4HFNTAFNTBPGGT1B
SCHEMBL29378966 0.92 FNTA (0.58) LTA4HFNTAFNTBPGGT1B
SCHEMBL10696437 0.92 FNTA (0.60) LTA4HFNTAFNTBPGGT1B
SCHEMBL13154780 0.92 FNTA (0.60) LTA4HFNTAFNTBPGGT1B
SCHEMBL9442973 0.92 FNTA (0.60) LTA4HFNTAFNTBPGGT1B
SCHEMBL9442969 0.92 FNTA (0.60) LTA4HFNTAFNTBPGGT1B
SCHEMBL6241495 0.91 LTA4H (0.60) NAALAD2BACE1LTA4HFNTAFNTB

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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