SCHEMBL19119536

SCHEMBL19119536

COC(=O)COCCOC(N)COc1cccc(C(=O)NCCN)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ SPHK2 Q9NRA0 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ LOX P28300 2/20 0.42
▸ LOXL2 Q9Y4K0 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL23106249 0.91 ALDH1A1 (0.42) F10ALDH1A1GAAMAPTLOX
SCHEMBL18923749 0.90 F10 (0.47) F10ALDH1A1SPHK2GAAMAPT
SCHEMBL24346423 0.89 SMN1; SMN2 (0.49) F10ALDH1A1SPHK2GAAMAPT
SCHEMBL24370728 0.86 MAOB (0.44) F10ALDH1A1SPHK2GAAMAPT
SCHEMBL18359680 0.83 SPHK2 (0.49) F10ALDH1A1SPHK2GAAMAPT
SCHEMBL23809317 0.83 NR1H4 (0.40) F10ALDH1A1GAAMAPTKMT2A
SCHEMBL24570793 0.83 F10 (0.41) F10ALDH1A1SPHK2GAAMAPT
SCHEMBL18923792 0.82 F10 (0.43) F10ALDH1A1GAAMAPTKMT2A
SCHEMBL25571882 0.82 F10 (0.43) F10ALDH1A1GAAMAPTLOX
SCHEMBL23879738 0.82 NR1H4 (0.39) F10ALDH1A1GAAMAPTKMT2A

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
WO-2017120148-A1 DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS QUANTUMDX GROUP LIMITED (GB) 2017-07-13 — — WO disclosed
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