SCHEMBL7274759

SCHEMBL7274759

COc1ccc(C[C@H](NC(=O)c2ccc(C(=N)N)cn2)C(=O)N2CCC(OCC(=O)O)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.68
ITGA2B P08514 7/20 0.68
CYP51A1 Q16850 1/20 0.45
PRKAA2 P54646 7/20 0.42
PRKAB2 O43741 5/20 0.42
PRKAG1 P54619 5/20 0.42
PRKAA1 Q13131 5/20 0.42
PRKAG3 Q9UGI9 5/20 0.42
PRKAG2 Q9UGJ0 5/20 0.42
PRKAB1 Q9Y478 5/20 0.42
CA2 P00918 1/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
CALCRL Q16602 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
SCHEMBL7293550 1.00 ITGB3 (0.68) ITGB3ITGA2BCYP51A1PRKAA2PRKAB2
SCHEMBL8881333 0.92 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL7285135 0.91 ITGB3 (0.82) ITGB3ITGA2BCYP51A1F2PLG
SCHEMBL7292028 0.91 ITGB3 (0.82) ITGB3ITGA2BCYP51A1CA2F2
SCHEMBL7284349 0.91 ITGB3 (0.82) ITGB3ITGA2BCYP51A1CA2F2
SCHEMBL7302621 0.90 ITGB3 (0.53) ITGB3ITGA2BCYP51A1PRKAA2PRKAB2
SCHEMBL8378204 0.90 ITGB3 (0.55) ITGB3ITGA2BCYP51A1PRKAA2PRKAB2
SCHEMBL7284061 0.90 ITGB3 (0.55) ITGB3ITGA2BCYP51A1PRKAA2PRKAB2
SCHEMBL7302642 0.89 CYP51A1 (0.54) ITGB3ITGA2BCYP51A1PRKAA2PRKAB2
SCHEMBL8377704 0.86 PRKAA2 (0.51) ITGB3ITGA2BCYP51A1PRKAA2PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658928-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS,WOUND HEALING AGENTS, OSTEOPOROSIS HOFFMANN-LA ROCHE INC. (US) 1997-08-19 US claimed
EP-0505868-B1 N-Acyl-alpha-aminoacids derivatives HOFFMANN LA ROCHE (CH) 1995-09-13 EP claimed
EP-0505868-A2 N-Acyl-alpha-aminoacids derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-09-30 EP claimed
EP-0656348-B1 Aceric acid derivatives as medicaments HOFFMANN LA ROCHE (CH) 2000-05-03 EP disclosed
US-5973188-A Acetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1999-10-26 US disclosed
US-5658928-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS,WOUND HEALING AGENTS, OSTEOPOROSIS HOFFMANN-LA ROCHE INC. (US) 1997-08-19 US disclosed
US-5545658-A FOR TREATMENT OR PROPHYLAXIS OF ILLNESSES WHICH ARE CAUSED BY THE BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELETS AND BY BLOOD PLATELET AGGREGATION AND CELL-CELL ADHESION HOFFMAN-LA ROCHE INC. (US) 1996-08-13 US disclosed
EP-0505868-B1 N-Acyl-alpha-aminoacids derivatives HOFFMANN LA ROCHE (CH) 1995-09-13 EP disclosed
EP-0656348-A2 Aceric acid derivatives as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1995-06-07 EP disclosed
US-5378712-A Antithrombosis Hoffmann-La Roche Inc (US) 1995-01-03 US disclosed
EP-0505868-A2 N-Acyl-alpha-aminoacids derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-09-30 EP disclosed