SCHEMBL7300485

SCHEMBL7300485

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

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.67
ITGA2B P08514 11/20 0.67
RAB9A P51151 3/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PLAU P00749 3/20 0.42
F2 P00734 2/20 0.42
PLAT P00750 2/20 0.42
PLG P00747 1/20 0.42
KLKB1 P03952 1/20 0.42
PRSS1 P07477 1/20 0.42
F10 P00742 2/20 0.42
NPC1 O15118 2/20 0.40
CASP3 P42574 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL7309823 0.94 ITGB3 (0.76) ITGB3ITGA2BRAB9AMAPTTSHR
SCHEMBL7306491 0.94 ITGB3 (0.59) ITGB3ITGA2BRAB9AMAPTTSHR
Hydrochloric Acid SCHEMBL7321989 0.94 ITGB3 (0.75) ITGB3ITGA2BRAB9AMAPTTSHR
SCHEMBL7303362 0.92 ITGB3 (0.71) ITGB3ITGA2BRAB9APLAUF2
SCHEMBL7309322 0.90 ITGB3 (0.66) ITGB3ITGA2BRAB9AMAPTTSHR
SCHEMBL7303165 0.89 ITGB3 (0.67) ITGB3ITGA2BRAB9APLAUF2
Hydrochloric Acid SCHEMBL7317353 0.88 ITGB3 (0.64) ITGB3ITGA2BRAB9AMAPTPLAU
SCHEMBL7304655 0.87 ITGB3 (0.73) ITGB3ITGA2BRAB9AMAPTPLAU
SCHEMBL7309708 0.86 ITGB3 (0.88) ITGB3ITGA2BRAB9APLAUNPC1
SCHEMBL7307505 0.86 ITGB3 (0.49) ITGB3ITGA2BRAB9AMAPTTSHR

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