SCHEMBL8909764

SCHEMBL8909764

C#CCN(CC#C)C(=O)c1ccc(OCCCCOc2c(CC)cc(O)cc2CC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
POLB P06746 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
PLA2G4B P0C869 1/20 0.38

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
SCHEMBL8894397 0.98 MAOB (0.46) MAOBPOLBHRH3MAPTNPC1
SCHEMBL8896481 0.94 MAOB (0.45) MAOBPOLBHRH3MAPTNPC1
SCHEMBL8910425 0.91 MAOB (0.42) MAOBPOLBHRH3MAPTNPC1
SCHEMBL8897483 0.84 MAOB (0.42) MAOBPOLBHRH3MAPTL3MBTL1
SCHEMBL8894156 0.83 MAOB (0.44) MAOBPOLBHRH3MAPTNPC1
SCHEMBL8894804 0.82 POLB (0.46) POLBHRH3MAPTNPC1ALDH1A1
SCHEMBL8894166 0.82 LSS (0.44) POLBHRH3MAPTNPC1ALDH1A1
SCHEMBL8895462 0.81 MAOB (0.40) MAOBPOLBHRH3MAPTNPC1
SCHEMBL8896187 0.80 LSS (0.42) POLBHRH3MAPTNPC1ALDH1A1
SCHEMBL8894361 0.79 TP53 (0.43) POLBHRH3MAPTTP53TSHR

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-1997027173-A2 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-31 WO disclosed