SCHEMBL8648458

SCHEMBL8648458

O=C(NC(CCCCNC1N=CCCN1)(NC(=O)C1CCON1)C(=O)O)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.36
ITGA2B P08514 5/20 0.36
ITGAV P06756 1/20 0.32
TGM2 P21980 1/20 0.31
CPB1 P15086 2/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL8646125 0.99 ITGB3 (0.36) ITGB3ITGA2BITGAVTGM2CPB1
SCHEMBL8650056 0.90 ITGB3 (0.35) ITGB3ITGA2BITGAV
SCHEMBL8650092 0.88 ITGB3 (0.36) ITGB3ITGA2BITGAVTGM2CPB1
SCHEMBL8642345 0.87 ITGB3 (0.36) ITGB3ITGA2BITGAVTGM2CPB1
SCHEMBL8645791 0.86
SCHEMBL8643523 0.84
SCHEMBL8647100 0.83 ITGB3 (0.37) ITGB3ITGA2BITGAVTGM2ALDH1A1
SCHEMBL8682769 0.80 HTRA1 (0.36) ITGB3ITGA2BTGM2
SCHEMBL8647489 0.79 ITGB3 (0.43) ITGB3ITGA2BITGAVTGM2
SCHEMBL8646093 0.78 ITGB3 (0.40) ITGB3ITGA2BITGAVTGM2CPB1

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-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