SCHEMBL29630428

SCHEMBL29630428

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.53
CTSD P07339 4/20 0.53
DPP4 P27487 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
BACE2 Q9Y5Z0 5/20 0.47

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
SCHEMBL18797432 0.95 DPP4 (0.54) BACE1CTSDDPP4DPP8DPP9
SCHEMBL30997439 0.95 DPP4 (0.54) BACE1CTSDDPP4DPP8DPP9
SCHEMBL6386178 0.95 DPP4 (0.54) BACE1CTSDDPP4DPP8DPP9
SCHEMBL29865375 0.93 DPP4 (0.55) BACE1CTSDDPP4DPP8DPP9
SCHEMBL31234146 0.92 BACE1 (0.51) BACE1CTSDDPP4DPP8DPP9
SCHEMBL30483835 0.92 BACE1 (0.54) BACE1CTSDDPP4DPP8DPP9
SCHEMBL31571451 0.91 BACE1 (0.53) BACE1CTSDDPP4DPP8DPP9
SCHEMBL31720984 0.90 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL30382157 0.90 BACE1 (0.63) BACE1CTSDDPP4DPP8DPP9
SCHEMBL29590436 0.89 BACE1 (0.57) BACE1CTSDBACE2

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