SCHEMBL8643210

SCHEMBL8643210

O=C(NC(CNC(=O)c1ccno1)C(=O)OCCCNC1=NCCN1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.59
ITGAV P06756 18/20 0.59
ITGA2B P08514 5/20 0.48
MALT1 Q9UDY8 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
Iodide SCHEMBL7403601 0.84 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL5027067 0.84 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL6111422 0.84 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL8547845 0.82 ITGB3 (0.52) ITGB3ITGAVITGA2BMALT1
SCHEMBL13059980 0.82 ITGB3 (0.54) ITGB3ITGAVITGA2BMALT1
SCHEMBL8682272 0.82 ITGB3 (0.65) ITGB3ITGAVITGA2BMALT1
SCHEMBL8682237 0.82 ITGB3 (0.61) ITGB3ITGAVITGA2BMALT1
SCHEMBL7401332 0.81 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL7401335 0.81 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL8682694 0.81 ITGB3 (0.64) ITGB3ITGAVITGA2BMALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710159-A IMIDAZOLIN-2-YLAMINOPROPOXY)ISOXAZOL-5-CARBONYLAMINO-2 -BENZYLOXYCARBONYLAMINOPROPIONIC ACID AS ANTIINFLAMMATORY AGENTS, BONE DEGRADATION, TUMORS, METASTASES AND THROMBOSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-20 US claimed
US-5710159-A IMIDAZOLIN-2-YLAMINOPROPOXY)ISOXAZOL-5-CARBONYLAMINO-2 -BENZYLOXYCARBONYLAMINOPROPIONIC ACID AS ANTIINFLAMMATORY AGENTS, BONE DEGRADATION, TUMORS, METASTASES AND THROMBOSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-20 US disclosed
US-5710159-A IMIDAZOLIN-2-YLAMINOPROPOXY)ISOXAZOL-5-CARBONYLAMINO-2 -BENZYLOXYCARBONYLAMINOPROPIONIC ACID AS ANTIINFLAMMATORY AGENTS, BONE DEGRADATION, TUMORS, METASTASES AND THROMBOSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-20 US disclosed