SCHEMBL7303362

SCHEMBL7303362

COC(=O)CC1COc2ccc(C(=O)Nc3ccc(C(=N)N)cc3)cc2C1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.71
ITGA2B P08514 10/20 0.71
PLAU P00749 3/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CASP3 P42574 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
MALT1 Q9UDY8 1/20 0.42
F2 P00734 2/20 0.42
PLG P00747 2/20 0.42
KLKB1 P03952 2/20 0.42
PRSS1 P07477 2/20 0.42
PLAT P00750 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
SCHEMBL7297250 0.94 ITGB3 (0.80) ITGB3ITGA2BPLAUNPC1RAB9A
SCHEMBL7303165 0.92 ITGB3 (0.67) ITGB3ITGA2BPLAUNPC1RAB9A
SCHEMBL7300485 0.92 ITGB3 (0.67) ITGB3ITGA2BPLAUNPC1RAB9A
SCHEMBL7309708 0.89 ITGB3 (0.88) ITGB3ITGA2BPLAUNPC1RAB9A
SCHEMBL7300817 0.87 ITGB3 (0.60) ITGB3ITGA2BPLAUNPC1RAB9A
SCHEMBL7306491 0.86 ITGB3 (0.59) ITGB3ITGA2BNPC1RAB9ACASP3
SCHEMBL7309823 0.86 ITGB3 (0.76) ITGB3ITGA2BPLAUNPC1RAB9A
SCHEMBL7307054 0.86 ITGB3 (0.76) ITGB3ITGA2BPLAUNPC1RAB9A
Hydrochloric Acid SCHEMBL7321989 0.85 ITGB3 (0.75) ITGB3ITGA2BPLAUNPC1RAB9A
SCHEMBL7304655 0.84 ITGB3 (0.73) ITGB3ITGA2BPLAUNPC1RAB9A

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