SCHEMBL30480686

SCHEMBL30480686

C=CCc1cc(NC(=O)OC)ccc1-c1cn(COCC[Si](C)(C)C)c([C@H](CC(=O)O)NC(=O)OC(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.35
SUV39H2 Q9H5I1 3/20 0.32
DGAT1 O75907 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL615677 1.00 F11 (0.35) F11SUV39H2DGAT1LMNAGAA
SCHEMBL615676 1.00 F11 (0.35) F11SUV39H2DGAT1LMNAGAA
SCHEMBL614366 0.91 F11 (0.31) F11
SCHEMBL615703 0.91 F11 (0.37) F11SUV39H2DGAT1LMNAMAPT
SCHEMBL615704 0.91 F11 (0.37) F11SUV39H2DGAT1LMNAMAPT
SCHEMBL2360745 0.89 F11 (0.37) F11SUV39H2DGAT1LMNAMAPT
SCHEMBL616190 0.88 F11 (0.34) F11SUV39H2DGAT1
SCHEMBL616189 0.88 F11 (0.34) F11SUV39H2DGAT1
SCHEMBL30480729 0.86 F11 (0.35) F11SUV39H2DGAT1LMNAGAA
SCHEMBL616157 0.86 F11 (0.35) F11SUV39H2DGAT1LMNAGAA

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
CN-107973809-B Macrocyclic compounds as factor XIA inhibitors 百时美施贵宝公司 2023-06-30 CN disclosed