SCHEMBL29630507

SCHEMBL29630507

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 7/20 0.56
BACE1 P56817 11/20 0.49
BACE2 Q9Y5Z0 3/20 0.49
CTSD P07339 2/20 0.48
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 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
SCHEMBL5324601 0.92 ENPEP (0.53) ENPEP
SCHEMBL31089740 0.91 ENPEP (0.55) ENPEPBACE1BACE2CTSD
SCHEMBL5194261 0.91 ENPEP (0.55) ENPEPBACE1BACE2CTSD
SCHEMBL29386735 0.90 FOLH1 (0.50) ENPEPBACE1CTSD
SCHEMBL6534663 0.88 GNPAT (0.54) ENPEPBACE1BACE2CTSDCASP1
SCHEMBL29832701 0.88 NOD1 (0.44) ENPEPBACE1BACE2CTSD
SCHEMBL29370880 0.87 GNPAT (0.55) ENPEP
SCHEMBL31406799 0.87 ENPEP (0.51) ENPEPBACE1BACE2CTSDCASP1
SCHEMBL30264251 0.87 ENPEP (0.51) ENPEPBACE1BACE2CTSDCASP1
SCHEMBL30056618 0.87 NOD1 (0.45) ENPEPBACE1BACE2CTSD

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