SCHEMBL7301509

SCHEMBL7301509

COc1ccc(C[C@H](NC(=O)c2ccc(C(=N)N)cc2)C(=O)N2CCC(OOC(C)=O)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.60
ITGA2B P08514 9/20 0.60
CYP51A1 Q16850 1/20 0.47
CA2 P00918 1/20 0.46
KMT2A Q03164 1/20 0.45
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44
POLB P06746 1/20 0.43
CALCRL Q16602 1/20 0.43
PSMB8 P28062 2/20 0.42
PSMB5 P28074 2/20 0.42
PSMB9 P28065 1/20 0.42

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
SCHEMBL7301514 0.91 ITGB3 (0.62) ITGB3ITGA2BCYP51A1CA2KMT2A
SCHEMBL7291927 0.88 ITGB3 (0.62) ITGB3ITGA2BCYP51A1CA2KMT2A
SCHEMBL7291943 0.87 ITGB3 (0.61) ITGB3ITGA2BCYP51A1CA2KMT2A
SCHEMBL8643931 0.86 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7292028 0.86 ITGB3 (0.82) ITGB3ITGA2BCYP51A1CA2F2
SCHEMBL7284349 0.86 ITGB3 (0.82) ITGB3ITGA2BCYP51A1CA2F2
SCHEMBL9259158 0.83 ITGB3 (0.60) ITGB3ITGA2BCYP51A1CA2KMT2A
SCHEMBL8020868 0.81 ITGB3 (0.75) ITGB3ITGA2BCYP51A1F2PLG
SCHEMBL8689958 0.78 ITGB3 (0.73) ITGB3ITGA2BCYP51A1F2PLG
SCHEMBL7302621 0.78 ITGB3 (0.53) ITGB3ITGA2BCYP51A1CA2KMT2A

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
EP-0505868-B1 N-Acyl-alpha-aminoacids derivatives HOFFMANN LA ROCHE (CH) 1995-09-13 EP claimed