SCHEMBL7307240

SCHEMBL7307240

CCOC(=O)CC1COc2ccc(OCc3ccc(C(=N)N)cc3)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.54
ITGA2B P08514 10/20 0.54
KLK5 Q9Y337 2/20 0.44
F2 P00734 4/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
TMPRSS6 Q8IU80 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
KLK1 P06870 1/20 0.42
MTNR1A P48039 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
SCHEMBL7309034 0.88 ITGB3 (0.69) ITGB3ITGA2BKLK5F2PRSS1
SCHEMBL7302032 0.84 MAOB (0.46) MTNR1A
SCHEMBL7309823 0.81 ITGB3 (0.76) ITGB3ITGA2B
SCHEMBL7300485 0.81 ITGB3 (0.67) ITGB3ITGA2BF2PRSS1
SCHEMBL7299889 0.80 ITGB3 (0.52) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7306587 0.80 ITGB3 (0.52) ITGB3ITGA2BF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL7321989 0.80 ITGB3 (0.75) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6953730 0.79 ITGB3 (0.77) ITGB3ITGA2BKLK5F2KLK1
SCHEMBL7297144 0.79 MTNR1A (0.63) MTNR1A
SCHEMBL7305927 0.78 ITGB3 (0.63) ITGB3ITGA2BKLK5F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed