SCHEMBL7980899

SCHEMBL7980899

N=C(N)c1ccc(C[C@@H]2NC(=O)N(CC(=O)NCC(NC(=O)OCc3ccccc3)C(=O)O)C2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.71
ITGAV P06756 13/20 0.71
ITGA2B P08514 11/20 0.71
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7445928 1.00 ITGB3 (0.71) ITGB3ITGAVITGA2BF2PLG
SCHEMBL7983025 0.91 ITGB3 (0.59) ITGB3ITGAVITGA2BF2PLG
SCHEMBL7980904 0.86 ITGB3 (0.70) ITGB3ITGAVITGA2BITGA4ITGB7
SCHEMBL7217668 0.84 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7983192 0.80 ITGB3 (0.58) ITGB3ITGAVITGA2BITGA4ITGB7
SCHEMBL7983179 0.80 ITGB3 (0.58) ITGB3ITGAVITGA2BITGA4ITGB7
Hydrochloric Acid SCHEMBL8492408 0.79 ITGB3 (0.57) ITGB3ITGAVITGA2BITGA4ITGB7
Hydrochloric Acid SCHEMBL8492400 0.79 ITGB3 (0.57) ITGB3ITGAVITGA2BITGA4ITGB7
SCHEMBL7980895 0.79 PLG (0.45) ITGB3ITGAVITGA2BF2PLG
SCHEMBL7983029 0.78 ITGB3 (0.59) ITGB3ITGAVITGA2BITGA4ITGB7

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