SCHEMBL5310645

SCHEMBL5310645

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.46
BACE1 P56817 9/20 0.45
BACE2 Q9Y5Z0 2/20 0.45
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
CTSD P07339 1/20 0.43
TFPI P10646 1/20 0.43
TASP1 Q9H6P5 1/20 0.43
MME P08473 2/20 0.42
FURIN P09958 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
SCHEMBL5310633 1.00 KEAP1 (0.46) KEAP1BACE1BACE2GRIN2DGRIN3B
SCHEMBL5314387 0.97 KEAP1 (0.44) KEAP1BACE1BACE2GRIN2DGRIN3B
SCHEMBL5314389 0.97 KEAP1 (0.44) KEAP1BACE1BACE2GRIN2DGRIN3B
SCHEMBL5316454 0.92 BACE1 (0.49) BACE1BACE2GRIN2DGRIN3BGRIN1
SCHEMBL5316452 0.92 BACE1 (0.49) BACE1BACE2GRIN2DGRIN3BGRIN1
SCHEMBL5316516 0.89 BACE1 (0.49) BACE1BACE2CTSDTASP1MME
SCHEMBL5316519 0.89 BACE1 (0.49) BACE1BACE2CTSDTASP1MME
SCHEMBL29593152 0.87 MME (0.53) BACE1BACE2GRIN2DGRIN3BGRIN1
SCHEMBL30881176 0.85 FOLH1 (0.47) BACE1BACE2CTSDFURIN
SCHEMBL31031450 0.84 FURIN (0.48) BACE1BACE2GRIN2DGRIN3BGRIN1

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 3 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
US-20070099246-A1 Antibodies, assays and kits to quantitate cartilage destruction SANDY JOHN D 2007-05-03 US disclosed