SCHEMBL8160004

SCHEMBL8160004

C#CCOc1cc(C(=O)OC)c(OCC#C)cc1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.52
MAOA P21397 5/20 0.52
KDM4E B2RXH2 2/20 0.43
HTR2A P28223 1/20 0.43
MDH1 P40925 1/20 0.41
MDH2 P40926 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.40
CYP2B6 P20813 1/20 0.40
GAA P10253 1/20 0.39
PDE4B Q07343 1/20 0.39
LMNA P02545 1/20 0.38
GSTP1 P09211 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
SCHEMBL7349998 0.86 MAOB (0.57) MAOBMAOAKDM4ENPC1
SCHEMBL22367827 0.85 MAOB (0.44) MAOBMAOAHTR2AMDH1MDH2
SCHEMBL14648692 0.84 KDM4E (0.50) MAOBMAOAKDM4EMDH1MDH2
SCHEMBL12600471 0.84 CA12 (0.53) MAOBMAOAKDM4EHTR2AMDH1
SCHEMBL16914654 0.83 MAOB (0.48) MAOBMAOAKDM4EHTR2AMDH1
SCHEMBL5763096 0.83 FFAR4 (0.55) MAOBMAOAHTR2AMDH1MDH2
SCHEMBL12566235 0.83 MAOB (0.48) MAOBMAOAHTR2AMDH1MDH2
SCHEMBL15273702 0.83 MAOA (0.45) MAOBMAOAHTR2AMDH1MDH2
SCHEMBL29238174 0.83 HTR2A (0.54) MAOBMAOAKDM4EHTR2AMDH1
SCHEMBL26669024 0.83 ABL1 (0.51) MAOBMAOAHTR2ATDP1CYP2B6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0890615-B1 High temperature crosslinkable liquid crystalline polyester compositions DAINIPPON INK & CHEMICALS (JP) 2000-05-03 EP claimed
EP-0890615-A1 High temperature crosslinkable liquid crystalline polyester compositions DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-01-13 EP claimed
EP-0890615-B1 High temperature crosslinkable liquid crystalline polyester compositions DAINIPPON INK & CHEMICALS (JP) 2000-05-03 EP disclosed
EP-0890615-A1 High temperature crosslinkable liquid crystalline polyester compositions DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-01-13 EP disclosed