SCHEMBL7983192

SCHEMBL7983192

C[C@@]1(c2ccc(C(=N)N)cc2)NC(=O)N(CC(=O)NCC(NC(=O)OCc2ccccc2)C(=O)O)C1=O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.58
ITGA2B P08514 9/20 0.58
ITGAV P06756 10/20 0.55
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7983179 1.00 ITGB3 (0.58) ITGB3ITGA2BITGAVKMT2AMEN1
Hydrochloric Acid SCHEMBL8492408 0.99 ITGB3 (0.57) ITGB3ITGA2BITGAVKMT2AMEN1
Hydrochloric Acid SCHEMBL8492400 0.99 ITGB3 (0.57) ITGB3ITGA2BITGAVKMT2AMEN1
Hydrochloric Acid SCHEMBL7981053 0.91 ITGB3 (0.54) ITGB3ITGA2BITGAVKMT2AMEN1
SCHEMBL7983202 0.86 ITGB3 (0.56) ITGB3ITGA2BITGAVKMT2AMEN1
Hydrochloric Acid SCHEMBL8492415 0.85 ITGB3 (0.55) ITGB3ITGA2BITGAVKMT2AMEN1
SCHEMBL3894297 0.84 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL6702744 0.84 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7969570 0.81 ITGB3 (0.56) ITGB3ITGA2BKMT2AMEN1
SCHEMBL7450451 0.81 ITGB3 (0.56) ITGB3ITGA2BKMT2AMEN1

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