SCHEMBL8452973

SCHEMBL8452973

N#Cc1ccc(C=C[C@H]2CC[C@H](CCC=O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.51
FBP1 P09467 1/20 0.37
SIGMAR1 Q99720 1/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
HDAC2 Q92769 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SNCA P37840 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL8452967 1.00 MAOB (0.51) MAOBFBP1SIGMAR1DRD2DRD3
SCHEMBL8458008 0.87 MAOB (0.50) MAOBFBP1DRD2DRD3MAOA
SCHEMBL8458012 0.87 MAOB (0.50) MAOBFBP1DRD2DRD3MAOA
SCHEMBL7724272 0.83 MAOB (0.53) MAOBFBP1HDAC2ALDH1A1MAOA
SCHEMBL7724276 0.83 MAOB (0.53) MAOBFBP1HDAC2ALDH1A1MAOA
SCHEMBL7729423 0.83 MAOB (0.53) MAOBFBP1HDAC2ALDH1A1MAOA
SCHEMBL7724273 0.83 MAOB (0.53) MAOBFBP1HDAC2ALDH1A1MAOA
SCHEMBL10832215 0.82 MAOB (0.52) MAOBFBP1HDAC2ALDH1A1MAOA
SCHEMBL10832218 0.82 MAOB (0.52) MAOBFBP1HDAC2ALDH1A1MAOA
SCHEMBL10832223 0.82 MAOB (0.52) MAOBFBP1HDAC2ALDH1A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5976408-A Acrylonitrile derivative, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 1999-11-02 US disclosed
EP-0820983-A1 ACRYLONITRILE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1998-01-28 EP disclosed