SCHEMBL8894032

SCHEMBL8894032

O=C(CN1CCN(C(=O)C2CN(c3ccc(-c4noc(=O)[nH]4)cc3)C(=O)O2)CC1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.45
ITGA2B P08514 6/20 0.45
F10 P00742 2/20 0.45
PLA2G2A P14555 5/20 0.39
RBP4 P02753 1/20 0.36
PLA2G10 O15496 1/20 0.34
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
ADH5 P11766 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
SCHEMBL7461428 0.92 ITGB3 (0.44) ITGB3ITGA2BF10PLA2G2ARBP4
SCHEMBL8891141 0.83 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL8893028 0.82 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL8891751 0.81 FNTA (0.45) ITGB3ITGA2B
SCHEMBL8892077 0.80 ITGB3 (0.43) ITGB3ITGA2BF10
SCHEMBL8894919 0.80 ITGB3 (0.40) ITGB3ITGA2BF10
SCHEMBL8891722 0.79 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL8892671 0.77 ITGB3 (0.49) ITGB3ITGA2BF10PLA2G2ARBP4
SCHEMBL8892340 0.76 MEN1 (0.42) ITGB3ITGA2BPARP1
SCHEMBL8893341 0.75 ITGB3 (0.56) ITGB3ITGA2BF10PLA2G2ARBP4

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