SCHEMBL4730477

SCHEMBL4730477

CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.48
ITGA2B P08514 11/20 0.48
CTSK P43235 4/20 0.47
CTSS P25774 3/20 0.47
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BTK Q06187 1/20 0.42
TSHR P16473 1/20 0.41
KMT2A Q03164 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
SCHEMBL3898407 0.83 CTSK (0.45) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL8245338 0.82 TSHR (0.54) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL376117 0.82 CACNA1B (0.48) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL8245341 0.82 TSHR (0.54) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL192185 0.82 CACNA1B (0.48) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL4233928 0.82 CACNA1B (0.48) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL2714461 0.81 CTSK (0.49) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL6842296 0.81 CACNA1B (0.48) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL30089915 0.81 CACNA1B (0.48) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL19941820 0.80 BTK (0.46) ITGB3ITGA2BCTSKCTSSHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008053157-A1 AMINOHETEROARYL COMPOUNDS AS FOR THE TREATMENT OF DISEASES MEDIATED BY C-MET KINASE ACTIVITY CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed