Sugi Predict

Sugi Predict / Compounds / SCHEMBL29630430

SCHEMBL29630430

SCHEMBL29630430

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

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 8/20 0.57
▸ BACE1 P56817 10/20 0.50
▸ BACE2 Q9Y5Z0 2/20 0.47
▸ CTSD P07339 1/20 0.46
▸ NAALAD2 Q9Y3Q0 1/20 0.46

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
SCHEMBL31181176 0.93 MME (0.50) FOLH1BACE1
SCHEMBL5313800 0.93 MME (0.53) FOLH1BACE1BACE2CTSD
SCHEMBL5313805 0.93 MME (0.53) FOLH1BACE1BACE2CTSD
SCHEMBL31416060 0.92 FOLH1 (0.60) FOLH1BACE1BACE2NAALAD2
SCHEMBL29575351 0.90 GNPAT (0.52) FOLH1BACE1NAALAD2
SCHEMBL4406472 0.89 FOLH1 (0.60) FOLH1BACE1BACE2NAALAD2
SCHEMBL13594690 0.89 FOLH1 (0.60) FOLH1BACE1BACE2NAALAD2
SCHEMBL29748971 0.88 FOLH1 (0.48) FOLH1BACE1BACE2CTSD
SCHEMBL29714767 0.87 FOLH1 (0.53) FOLH1BACE1NAALAD2
SCHEMBL4978783 0.87 BACE1 (0.55) FOLH1BACE1BACE2CTSD

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