SCHEMBL5316452

SCHEMBL5316452

CC(C)CC(NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)CN)C(C)C)C(=O)NC(CO)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.49
BACE2 Q9Y5Z0 4/20 0.49
MME P08473 2/20 0.48
CTSD P07339 2/20 0.48
TASP1 Q9H6P5 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
FOLH1 Q04609 2/20 0.44

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
SCHEMBL5316454 1.00 BACE1 (0.49) BACE1BACE2MMECTSDTASP1
SCHEMBL5310645 0.92 KEAP1 (0.46) BACE1BACE2MMECTSDTASP1
SCHEMBL5310633 0.92 KEAP1 (0.46) BACE1BACE2MMECTSDTASP1
SCHEMBL29593152 0.92 MME (0.53) BACE1BACE2MMECTSDTASP1
SCHEMBL5314389 0.90 KEAP1 (0.44) BACE1BACE2MMECTSDTASP1
SCHEMBL5314387 0.90 KEAP1 (0.44) BACE1BACE2MMECTSDTASP1
SCHEMBL30881180 0.88 FOLH1 (0.52) BACE1BACE2CTSDGRIN2DGRIN3B
SCHEMBL31480017 0.88 BACE1 (0.51) BACE1BACE2CTSDGRIN2DGRIN3B
SCHEMBL31341152 0.87 FOLH1 (0.53) BACE1BACE2CTSDFOLH1
SCHEMBL5316516 0.86 BACE1 (0.49) BACE1BACE2MMECTSDTASP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007056047-A2 ANTIBODIES, ASSAYS AND KITS TO QUANTITATE CARTILAGE DESTRUCTION ARTICULAR ENGINEERING, LLC. (US) 2007-05-18 WO claimed
US-20070099246-A1 Antibodies, assays and kits to quantitate cartilage destruction SANDY JOHN D 2007-05-03 US claimed
WO-2007056047-A2 ANTIBODIES, ASSAYS AND KITS TO QUANTITATE CARTILAGE DESTRUCTION ARTICULAR ENGINEERING, LLC. (US) 2007-05-18 WO disclosed
US-20070099246-A1 Antibodies, assays and kits to quantitate cartilage destruction SANDY JOHN D 2007-05-03 US disclosed