SCHEMBL8910425

SCHEMBL8910425

C#CCN(CC#C)C(=O)c1ccc(OCCCOc2c(C)cc(O)cc2CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
POLB P06746 1/20 0.38
HRH3 Q9Y5N1 4/20 0.38
PLA2G4B P0C869 2/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
DHFR P00374 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
SCHEMBL8896481 0.98 MAOB (0.45) MAOBPOLBHRH3PLA2G4BMAPT
SCHEMBL8894397 0.94 MAOB (0.46) MAOBPOLBHRH3PLA2G4BMAPT
SCHEMBL8909764 0.91 MAOB (0.48) MAOBPOLBHRH3PLA2G4BMAPT
SCHEMBL8895512 0.86 POLB (0.42) POLBHRH3PLA2G4BMAPTNPC1
SCHEMBL8894361 0.84 TP53 (0.43) POLBHRH3PLA2G4BMAPTTP53
SCHEMBL8910613 0.83 MAPT (0.41) POLBHRH3PLA2G4BMAPTNPC1
SCHEMBL8894156 0.81 MAOB (0.44) MAOBPOLBHRH3MAPTNPC1
SCHEMBL8894757 0.81 LSS (0.41) POLBMAPTALDH1A1LMNATP53
SCHEMBL8894804 0.79 POLB (0.46) POLBHRH3PLA2G4BMAPTNPC1
SCHEMBL8895462 0.78 MAOB (0.40) MAOBPOLBHRH3PLA2G4BMAPT

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