SCHEMBL7656995

SCHEMBL7656995

CCCCS(=O)(=O)N[C@@H](CN)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.39
ITGA2B P08514 10/20 0.39
ITGAV P06756 1/20 0.33
CHRM2 P08172 1/20 0.33
SLC6A4 P31645 1/20 0.33
FAAH O00519 3/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL7339072 0.82 ITGB3 (0.44) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7312875 0.82 ITGB3 (0.44) ITGB3ITGA2BITGAVCHRM2SLC6A4
Hydrochloric Acid SCHEMBL7312868 0.80 ITGB3 (0.44) ITGB3ITGA2BITGAVCHRM2SLC6A4
Hydrochloric Acid SCHEMBL7312863 0.80 ITGB3 (0.44) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7417484 0.80 ITGB3 (0.44) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL6935765 0.80 ITGB3 (0.44) ITGB3ITGA2BITGAVCHRM2SLC6A4
Trifluoroacetic Acid SCHEMBL7656989 0.80 ITGB3 (0.49) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7661156 0.78
SCHEMBL7262653 0.75 ITGB3 (0.52) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7262649 0.75 ITGB3 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6335337-B1 ANTICOAGULANTS LABORATOIRE L. LAFON (FR) 2002-01-01 US disclosed