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Sugi Predict / Compounds / SCHEMBL29630613

SCHEMBL29630613

SCHEMBL29630613

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 13/20 0.49
▸ CTSD P07339 4/20 0.49
▸ PDCD1LG2 Q9BQ51 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ BACE2 Q9Y5Z0 1/20 0.41

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
SCHEMBL30421249 0.95 BACE1 (0.53) BACE1CTSDBACE2
SCHEMBL29465931 0.92 PDCD1LG2 (0.54) BACE1CTSDPDCD1LG2CD274
SCHEMBL31129130 0.91 PDCD1LG2 (0.47) BACE1CTSDPDCD1LG2CD274
SCHEMBL31720984 0.91 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL30123079 0.87 DPP4 (0.51) BACE1CTSDBACE2
SCHEMBL30728886 0.87 DPP4 (0.51) BACE1CTSDBACE2
SCHEMBL29531593 0.87 DPP4 (0.51) BACE1CTSDBACE2
SCHEMBL30199868 0.87 BACE1 (0.44) BACE1CTSDPDCD1LG2CD274BACE2
SCHEMBL1674822 0.87 BACE1 (0.47) BACE1CTSDBACE2
SCHEMBL28605707 0.87 BACE1 (0.47) 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