SCHEMBL29630490

SCHEMBL29630490

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 6/20 0.46
NMT2 O60551 5/20 0.46
PDCD1LG2 Q9BQ51 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
FURIN P09958 1/20 0.39
PCSK6 P29122 1/20 0.39
CPB2 Q96IY4 1/20 0.39
TLR2 O60603 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL30081121 1.00 NMT1 (0.46) NMT1NMT2PDCD1LG2CD274CTSD
SCHEMBL31129145 0.91 BACE1 (0.46) NMT1NMT2PDCD1LG2CD274CTSD
SCHEMBL31129130 0.89 PDCD1LG2 (0.47) PDCD1LG2CD274CTSDBACE1
SCHEMBL31643291 0.88 NMT1 (0.46) NMT1NMT2PDCD1LG2CD274FURIN
SCHEMBL30728888 0.88 NMT1 (0.46) NMT1NMT2CPB2TLR2
SCHEMBL29630537 0.88 CTSD (0.43) CTSDCPB2GRIN2DGRIN3BGRIN1
SCHEMBL30390475 0.87 PDCD1LG2 (0.47) PDCD1LG2CD274CTSDBACE1FURIN
SCHEMBL30390244 0.87 NMT1 (0.44) NMT1NMT2CPB2TLR2
SCHEMBL29590410 0.87 GRIN2D (0.52) CTSDBACE1TLR2GRIN2DGRIN3B
SCHEMBL29630613 0.86 BACE1 (0.49) PDCD1LG2CD274CTSDBACE1

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