SCHEMBL6819199

SCHEMBL6819199

CCCCS(=O)(=O)NC(CCCC(F)(F)F)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.49
ITGA2B P08514 17/20 0.49
ITGAV P06756 2/20 0.43
CHRM2 P08172 1/20 0.42
SLC6A4 P31645 1/20 0.42
NOD1 Q9Y239 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL31522342 0.84 ITGB3 (0.51) ITGB3ITGA2BITGAVNOD1
SCHEMBL6818957 0.84 ITGB3 (0.51) ITGB3ITGA2BITGAVNOD1
SCHEMBL8727473 0.81 ITGB3 (0.51) ITGB3ITGA2BITGAVNOD1CA2
SCHEMBL7395698 0.81 ITGB3 (0.47) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8728096 0.81 ITGB3 (0.51) ITGB3ITGA2BITGAVNOD1CA2
SCHEMBL7144039 0.80 ITGB3 (0.53) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7144029 0.80 ITGB3 (0.53) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7118389 0.80 ITGB3 (0.52) ITGB3ITGA2BITGAVNOD1CA2
SCHEMBL4059094 0.78 ITGB3 (0.51) ITGB3ITGA2BITGAVNOD1
Trifluoroacetic Acid SCHEMBL7656989 0.78 ITGB3 (0.49) ITGB3ITGA2BITGAVCHRM2SLC6A4

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
WO-2004020402-A1 SULPHONYLAMINO DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO claimed
WO-2004020402-A1 SULPHONYLAMINO DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO disclosed