SCHEMBL8891636

SCHEMBL8891636

CC(C)(C)OC(=O)COC1CCCN(C(=O)C2CN(c3ccc(-c4noc(=O)[nH]4)cc3)C(=O)O2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.42
ITGA2B P08514 5/20 0.42
F10 P00742 2/20 0.42
RBP4 P02753 1/20 0.36
CHEK2 O96017 2/20 0.35
PRMT5 O14744 3/20 0.34
PLA2G2A P14555 3/20 0.34
HRH1 P35367 1/20 0.33
CCR3 P51677 1/20 0.33
ADH5 P11766 1/20 0.32
ALDH1A1 P00352 1/20 0.32
WDR77 Q9BQA1 1/20 0.31
DPP4 P27487 1/20 0.31
KCNH2 Q12809 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
RARB P10826 1/20 0.31

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
SCHEMBL8892595 0.92 ITGB3 (0.44) ITGB3ITGA2BF10RBP4CHEK2
SCHEMBL8894165 0.84 ITGB3 (0.46) ITGB3ITGA2BF10RBP4CHEK2
SCHEMBL8893792 0.81 ITGB3 (0.40) ITGB3ITGA2BF10CHEK2PRMT5
SCHEMBL7457519 0.81 ITGB3 (0.43) ITGB3ITGA2BF10RBP4CHEK2
SCHEMBL8891846 0.81 ITGB3 (0.48) ITGB3ITGA2BF10RBP4PLA2G2A
SCHEMBL8891474 0.80 PLA2G2A (0.44) ITGB3ITGA2BF10RBP4PLA2G2A
SCHEMBL7463619 0.76 ITGB3 (0.46) ITGB3ITGA2BF10RBP4PLA2G2A
SCHEMBL8892671 0.75 ITGB3 (0.49) ITGB3ITGA2BF10RBP4PLA2G2A
SCHEMBL8894310 0.74 GPR119 (0.36) ITGB3ITGA2BF10
SCHEMBL8892720 0.73 GPR119 (0.42)

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