SCHEMBL8892595

SCHEMBL8892595

CC(C)(C)OC(=O)COC1CCN(C(=O)C2CN(c3ccc(-c4noc(=O)[nH]4)cc3)C(=O)O2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.44
ITGA2B P08514 5/20 0.44
F10 P00742 2/20 0.44
RBP4 P02753 1/20 0.37
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
PLA2G2A P14555 3/20 0.35
GPR119 Q8TDV5 1/20 0.35
ALDH1A1 P00352 1/20 0.33
DPP4 P27487 1/20 0.33
KCNH2 Q12809 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ADH5 P11766 1/20 0.33
CETP P11597 2/20 0.33
RARB P10826 1/20 0.32
CHEK2 O96017 1/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL8891636 0.92 ITGB3 (0.42) ITGB3ITGA2BF10RBP4HRH1
SCHEMBL8894165 0.89 ITGB3 (0.46) ITGB3ITGA2BF10RBP4HRH1
SCHEMBL7457519 0.88 ITGB3 (0.43) ITGB3ITGA2BF10RBP4HRH1
SCHEMBL8891846 0.86 ITGB3 (0.48) ITGB3ITGA2BF10RBP4HRH1
SCHEMBL8891474 0.82 PLA2G2A (0.44) ITGB3ITGA2BF10RBP4PLA2G2A
SCHEMBL8894310 0.82 GPR119 (0.36) ITGB3ITGA2BF10GPR119NPBWR1
SCHEMBL8892720 0.81 GPR119 (0.42) GPR119CETP
SCHEMBL8892934 0.80 ITGB3 (0.43) ITGB3ITGA2BF10GPR119
SCHEMBL8892671 0.80 ITGB3 (0.49) ITGB3ITGA2BF10RBP4HRH1
SCHEMBL8892115 0.79 NAMPT (0.37) F10GPR119ALDH1A1

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