SCHEMBL29630534

SCHEMBL29630534

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.55
ECE1 P42892 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
BACE1 P56817 7/20 0.45
CTSD P07339 2/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.44
CTSC P53634 1/20 0.42

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
SCHEMBL6516241 0.95 FOLH1 (0.55) FOLH1ECE1GRIN2DGRIN3BGRIN1
SCHEMBL29485627 0.93 FOLH1 (0.48) FOLH1ECE1GRIN2DGRIN3BGRIN1
SCHEMBL30546210 0.93 FOLH1 (0.55) FOLH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31073601 0.91 GRIN2D (0.47) FOLH1ECE1GRIN2DGRIN3BGRIN1
SCHEMBL30974392 0.91 FOLH1 (0.50) FOLH1ECE1NAALAD2
SCHEMBL29564468 0.90 FOLH1 (0.50) FOLH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29531331 0.88 FOLH1 (0.61) FOLH1NAALAD2CTSC
SCHEMBL29419017 0.88 FOLH1 (0.61) FOLH1NAALAD2CTSC
SCHEMBL30544309 0.87 ECE1 (0.49) FOLH1ECE1GRIN2DGRIN3BGRIN1
SCHEMBL29485672 0.86 FOLH1 (0.48) FOLH1GRIN2DGRIN3BGRIN1GRIN2A

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