SCHEMBL8948650

SCHEMBL8948650

CC(C)(C)OC(=O)COC1CCN(CC2CN(c3ccc(CNC(=O)OCc4ccccc4)cc3)C(=O)O2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.41
ITGB3 P05106 5/20 0.39
ITGA2B P08514 5/20 0.39
AURKA O14965 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
F10 P00742 5/20 0.36
PRSS1 P07477 4/20 0.36
PRSS2 P07478 4/20 0.36
PRSS3 P35030 4/20 0.36
PARP1 P09874 1/20 0.36
GRM2 Q14416 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
F2 P00734 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL8948693 0.83 SIGMAR1 (0.43) SIGMAR1ITGB3ITGA2B
SCHEMBL8948654 0.81 RECQL (0.36) SIGMAR1ITGB3ITGA2BAURKAFLT1
SCHEMBL7310242 0.80 ITGB3 (0.41) SIGMAR1ITGB3ITGA2BF10PARP1
SCHEMBL8948795 0.79 GRM2 (0.46) SIGMAR1ITGB3ITGA2BGRM2
SCHEMBL8948876 0.78 SIGMAR1 (0.43) SIGMAR1ITGB3ITGA2BGRM2
SCHEMBL8892115 0.77 NAMPT (0.37) F10MEN1KMT2A
SCHEMBL8315856 0.76 GRM2 (0.48) F10GRM2
SCHEMBL6601341 0.75 ITGB3 (0.43) SIGMAR1ITGB3ITGA2BF10PRSS1
SCHEMBL8315960 0.74 ITGB3 (0.43) SIGMAR1ITGB3ITGA2BF10PRSS1
SCHEMBL7462288 0.73 LMNA (0.40) MEN1KMT2A

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-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed