SCHEMBL8892912

SCHEMBL8892912

COc1ccc(C[C@@H](NC(=O)C2CN(c3ccc(-c4noc(=O)[nH]4)cc3)C(=O)O2)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.50
ITGB3 P05106 4/20 0.47
ITGA2B P08514 4/20 0.47
F10 P00742 1/20 0.47
ITGB1 P05556 5/20 0.40
ITGA4 P13612 5/20 0.40
FPR2 P25090 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GRM2 Q14416 1/20 0.37
KMT2A Q03164 1/20 0.36
ITGB7 P26010 1/20 0.36
MME P08473 1/20 0.36
ALB P02768 1/20 0.36
IL2 P60568 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL8892492 0.90 ITGB3 (0.49) ADORA2AITGB3ITGA2BF10ITGB1
SCHEMBL7460203 0.90 ITGB3 (0.43) ADORA2AITGB3ITGA2BF10ALDH1A1
SCHEMBL8892462 0.84 ITGB3 (0.49) ITGB3ITGA2BF10ALDH1A1
SCHEMBL7457540 0.82 ITGB3 (0.44) ADORA2AITGB3ITGA2BF10
SCHEMBL8892944 0.81 ITGB3 (0.49) ITGB3ITGA2BF10ALDH1A1
SCHEMBL7462112 0.80 ADORA2A (0.54) ADORA2AITGB3ITGA2BF10ITGB1
SCHEMBL7460284 0.80 ITGB3 (0.46) ITGB3ITGA2BF10ALDH1A1GRM2
SCHEMBL7237450 0.76 ITGB3 (0.49) ITGB3ITGA2BF10ALDH1A1GRM2
SCHEMBL7456647 0.76 ITGB3 (0.49) ITGB3ITGA2BF10ALDH1A1GRM2
SCHEMBL7468374 0.76 ITGB3 (0.43) ITGB3ITGA2BF10ALDH1A1

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