SCHEMBL8650403

SCHEMBL8650403

CC(=O)OOC1CCN(C(=O)C(C)NC(=O)c2ccc(/C(N)=N\O)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.59
ITGA2B P08514 8/20 0.59
POLB P06746 1/20 0.36
SMYD3 Q9H7B4 2/20 0.35
MBOAT4 Q96T53 1/20 0.35
PRKAA2 P54646 2/20 0.34
HRH3 Q9Y5N1 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PRKAB2 O43741 1/20 0.33
CYP3A4 P08684 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33

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
SCHEMBL8648096 0.89 ITGB3 (0.70) ITGB3ITGA2BPOLBSMYD3
SCHEMBL8379356 0.86 ITGB3 (0.81) ITGB3ITGA2BPOLBSMYD3MBOAT4
SCHEMBL8379343 0.86 ITGB3 (0.81) ITGB3ITGA2BPOLBSMYD3MBOAT4
SCHEMBL8379329 0.86 ITGB3 (0.81) ITGB3ITGA2BPOLBSMYD3MBOAT4
SCHEMBL8379352 0.86 ITGB3 (0.81) ITGB3ITGA2BPOLBSMYD3MBOAT4
SCHEMBL8646312 0.77 ITGB3 (0.56) ITGB3ITGA2BPOLBSMYD3
SCHEMBL7274714 0.75 ITGB3 (0.80) ITGB3ITGA2B
SCHEMBL7285305 0.74 ITGB3 (1.00) ITGB3ITGA2BPOLB
SCHEMBL6947214 0.74 ITGB3 (1.00) ITGB3ITGA2BPOLB
SCHEMBL6947203 0.74 ITGB3 (1.00) ITGB3ITGA2BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed