SCHEMBL7983016

SCHEMBL7983016

CC(=O)N(CC(NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C)N1C(=O)NC(Cc2ccc(C(=N)N)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.42
ITGA2B P08514 6/20 0.42
PLG P00747 7/20 0.42
F2 P00734 3/20 0.42
PLAU P00749 3/20 0.42
PLAT P00750 3/20 0.42
F10 P00742 4/20 0.41
KLK8 O60259 2/20 0.41
KLK4 Q9Y5K2 2/20 0.41
KLK1 P06870 1/20 0.41
KLK2 P20151 1/20 0.41
ITGAV P06756 4/20 0.39
CTSL P07711 2/20 0.39
CTSK P43235 2/20 0.39
KLKB1 P03952 4/20 0.39
PROC P04070 4/20 0.39
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
SYK P43405 1/20 0.37
CTSS P25774 1/20 0.36

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
SCHEMBL7983022 1.00 ITGB3 (0.42) ITGB3ITGA2BPLGF2PLAU
SCHEMBL7980895 0.92 PLG (0.45) ITGB3ITGA2BPLGF2PLAU
SCHEMBL7449328 0.87 ITGB3 (0.40) ITGB3ITGA2BITGAVCTSLCTSK
SCHEMBL7983025 0.81 ITGB3 (0.59) ITGB3ITGA2BPLGF2PLAU
Hydrochloric Acid SCHEMBL7981048 0.81 ITGB3 (0.41) ITGB3ITGA2BPLGF2PLAU
Hydrochloric Acid SCHEMBL7981050 0.81 ITGB3 (0.41) ITGB3ITGA2BPLGF2PLAU
SCHEMBL7445939 0.78 ITGB3 (0.45) ITGB3ITGA2BITGAVCTSLCTSK
SCHEMBL7445928 0.73 ITGB3 (0.71) ITGB3ITGA2BPLGF2PLAU
SCHEMBL7980899 0.73 ITGB3 (0.71) ITGB3ITGA2BPLGF2PLAU
SCHEMBL7216598 0.73 ITGB3 (0.42) ITGB3ITGA2BITGAVCTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191282-B1 DERIVATIVES OF 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC RING IS USED AS ANTICARCINOGENIC AGENT AND ANTICOAGULANT HOECHST MARION ROUSSEL (DE) 2001-02-20 US disclosed
US-5981492-A ADMINISTERED TO THE PATIENT TO INHIBIT THROMBOCYTE AGGREGATION, THE METASTASIZATION OF CARCINOMA CELLS, THE BINDING OF OSTEOCLASTS TO THE BONE SURFACE, OR FOR THE TREATMENT OF THROMBOSES HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed