SCHEMBL8895029

SCHEMBL8895029

C#CCN(CC#C)C(=O)c1ccc(OCCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.41
HTT P42858 1/20 0.37
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
LIMK1 P53667 1/20 0.32
LIMK2 P53671 1/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL8897483 0.88 MAOB (0.42) MAOBHTTCA12CA1CA2
SCHEMBL8895462 0.86 MAOB (0.40) MAOBHTTPOLBHRH3RAB9A
SCHEMBL8895765 0.85 LSS (0.39) HTTPOLBL3MBTL1
SCHEMBL8895659 0.84 THRB (0.40) HTTPOLBGAATP53THRB
SCHEMBL7976243 0.83 PYGL (0.33) MAOBHTTRAB9ATHRBMAOA
SCHEMBL8894477 0.83 F2 (0.40) HTTPOLBL3MBTL1
SCHEMBL8895295 0.83 POLB (0.40) HTTPOLBHRH3MAPTTP53
SCHEMBL8896291 0.82 TSHR (0.43) HTTPOLBMAPTTHRBBCHE
SCHEMBL8894156 0.82 MAOB (0.44) MAOBCA12CA1CA2CA4
SCHEMBL8894549 0.82 TP53 (0.47) HTTPOLBL3MBTL1TP53

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