SCHEMBL8971449

SCHEMBL8971449

CCOC(=O)CC(CS(=O)(=O)c1ccccc1)NC(=O)CCCCc1ccc(C(=N)N)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.57
ITGA2B P08514 8/20 0.57
F2 P00734 6/20 0.52
F10 P00742 4/20 0.47
PRSS1 P07477 2/20 0.45
PLAU P00749 1/20 0.39
HPN P05981 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PLA2G2A P14555 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 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
SCHEMBL7348953 0.88 ITGB3 (0.73) ITGB3ITGA2BPRSS1HDAC1HDAC8
SCHEMBL7352921 0.88 ITGB3 (0.51) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7387875 0.86 ITGB3 (0.76) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9710588 0.86 ITGB3 (0.64) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7390380 0.86 ITGB3 (0.64) ITGB3ITGA2BF2F10PRSS1
SCHEMBL8971461 0.86 ITGB3 (0.40) ITGB3ITGA2BHDAC1HDAC8PLA2G2A
SCHEMBL7349227 0.86 ITGB3 (0.61) ITGB3ITGA2BF2
SCHEMBL7351137 0.84 ITGB3 (0.63) ITGB3ITGA2BPLAUHPNPLA2G2A
SCHEMBL7380948 0.82 ITGB3 (0.60) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7386054 0.82 ITGB3 (0.76) ITGB3ITGA2BF2F10PRSS1

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