SCHEMBL29630546

SCHEMBL29630546

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 11/20 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
▸ FNTA P49354 4/20 0.39
▸ FNTB P49356 4/20 0.39
▸ PDCD1LG2 Q9BQ51 1/20 0.39
▸ CD274 Q9NZQ7 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
SCHEMBL2373402 0.89 BACE1 (0.47) BACE1CTSDDPP4DPP8DPP9
SCHEMBL31514375 0.89 BACE1 (0.47) BACE1CTSDDPP4DPP8DPP9
SCHEMBL31249620 0.86 DPP4 (0.51) BACE1CTSDDPP4DPP8DPP9
SCHEMBL30390218 0.85 PDCD1LG2 (0.47) BACE1CTSDFNTAFNTBPDCD1LG2
SCHEMBL8389736 0.85 DPP4 (0.43) BACE1CTSDDPP4DPP8DPP9
SCHEMBL8389734 0.85 DPP4 (0.43) BACE1CTSDDPP4DPP8DPP9
SCHEMBL29405948 0.85 FNTA (0.44) DPP4DPP8DPP9FNTAFNTB
SCHEMBL30721621 0.83 BACE1 (0.48) BACE1CTSDDPP4DPP8DPP9
SCHEMBL30272501 0.83 PDCD1LG2 (0.53) BACE1CTSDFNTAFNTBPDCD1LG2
SCHEMBL29538092 0.83 DPP4 (0.43) BACE1CTSDDPP4DPP8DPP9

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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