SCHEMBL8892492

SCHEMBL8892492

O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)C1CN(c2ccc(-c3noc(=O)[nH]3)cc2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.49
ITGA2B P08514 5/20 0.49
F10 P00742 2/20 0.49
ADORA2A P29274 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.36
ITGB1 P05556 5/20 0.35
ITGA4 P13612 5/20 0.35
ADH5 P11766 1/20 0.35
OPRM1 P35372 2/20 0.35
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
FOLH1 Q04609 1/20 0.34

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
SCHEMBL8892912 0.90 ADORA2A (0.50) ITGB3ITGA2BF10ADORA2AITGB1
SCHEMBL7457540 0.88 ITGB3 (0.44) ITGB3ITGA2BF10ADORA2A
SCHEMBL8892462 0.87 ITGB3 (0.49) ITGB3ITGA2BF10ADH5XDH
SCHEMBL8892944 0.82 ITGB3 (0.49) ITGB3ITGA2BF10ADH5XDH
SCHEMBL7463401 0.79 ITGB3 (0.45) ITGB3ITGA2BF10ADORA2ANAALAD2
SCHEMBL8893341 0.78 ITGB3 (0.56) ITGB3ITGA2BF10ADH5XDH
SCHEMBL7460284 0.77 ITGB3 (0.46) ITGB3ITGA2BF10ADH5XDH
SCHEMBL7468374 0.75 ITGB3 (0.43) ITGB3ITGA2BF10ADH5XDH
SCHEMBL8893573 0.73 ADORA2A (0.48) ADORA2ANAALAD2
SCHEMBL7456647 0.73 ITGB3 (0.49) ITGB3ITGA2BF10ADH5XDH

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-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed