SCHEMBL8972228

SCHEMBL8972228

CCC(NC(=O)CCCCc1ccc(C(=N)N)cc1)C(=O)OS(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.54
ITGA2B P08514 6/20 0.54
PRSS1 P07477 5/20 0.44
TMPRSS15 P98073 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
F2 P00734 2/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
F10 P00742 2/20 0.39
ST14 Q9Y5Y6 1/20 0.39
HDAC2 Q92769 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL9435255 0.74 ITGB3 (0.61) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL7389600 0.73 ITGB3 (0.76) ITGB3ITGA2BSMN1; SMN2
SCHEMBL7386054 0.73 ITGB3 (0.76) ITGB3ITGA2BPRSS1F2F10
SCHEMBL9710341 0.73 ITGB3 (0.67) ITGB3ITGA2BPRSS1TMPRSS15CTSG
SCHEMBL9710588 0.72 ITGB3 (0.64) ITGB3ITGA2BPRSS1SMN1; SMN2F2
SCHEMBL7387875 0.72 ITGB3 (0.76) ITGB3ITGA2BPRSS1SMN1; SMN2F2
SCHEMBL7390380 0.72 ITGB3 (0.64) ITGB3ITGA2BPRSS1SMN1; SMN2F2
SCHEMBL7388719 0.72 ITGB3 (0.68) ITGB3ITGA2BPRSS1SMN1; SMN2F2
SCHEMBL7721971 0.72 ITGB3 (0.58) ITGB3ITGA2BPRSS1F2CTSG
SCHEMBL9473552 0.72 ITGB3 (0.66) ITGB3ITGA2BSMN1; SMN2F2F10

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
US-5543425-A ANTIAGGLOMERANTS G. D. SEARLE & CO. (US) 1996-08-06 US disclosed