SCHEMBL6503005

SCHEMBL6503005

O=C(O)[C@H](Cc1ccc2oc(CCCNc3nc4ccccc4[nH]3)cc(=O)c2c1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.51
ITGAV P06756 11/20 0.51
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
ADAMTS4 O75173 1/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTPN1 P18031 2/20 0.38
PTPN2 P17706 1/20 0.38
ITGA2B P08514 2/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL6504314 0.91 ITGB3 (0.44) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL6505393 0.89 ITGB3 (0.42) ITGB3ITGAVITGB1ITGA5ALPL
SCHEMBL6495002 0.89 ITGB3 (0.41) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL6505728 0.86 ITGB3 (0.49) ITGB3ITGAVADAMTS4ITGA2B
SCHEMBL3048231 0.83 ITGB3 (0.45) ITGB3ITGAVITGB1ITGA5PTPN1
SCHEMBL6494288 0.82 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5ADAMTS4
SCHEMBL14431792 0.79 BCHE (0.37) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL6506524 0.78 ITGB3 (0.40) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL5204539 0.78 ITGB3 (0.41) ITGB3ITGAVITGB1ITGA5PTPN1
SCHEMBL6495597 0.74 ITGB3 (0.39) ITGB3ITGAVITGA2B

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-6849646-B1 Chromenone and chromanone derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2005-02-01 US disclosed