SCHEMBL7071399

SCHEMBL7071399

CCSSC(=O)O/C(=C(\C#N)c1ccc(Cl)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.39
ESR1 P03372 2/20 0.35
GAA P10253 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 1/20 0.34
TRPA1 O75762 1/20 0.34
EPHX2 P34913 1/20 0.33
MAPT P10636 1/20 0.33
P2RX7 Q99572 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
GRIK1 P39086 1/20 0.33
LTC4S Q16873 1/20 0.33
CNR1 P21554 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL7070108 0.90 MGLL (0.41) MGLLGAAPPARGPPARATRPA1
SCHEMBL162916 0.87 MGLL (0.42) MGLLGAAPPARGPPARATRPA1
SCHEMBL7066483 0.84 MGLL (0.37) MGLLESR1GAAPPARGPPARA
SCHEMBL7071368 0.82 MGLL (0.45) MGLLGAAPPARGPPARATRPA1
SCHEMBL7071370 0.82 MGLL (0.45) MGLLGAAPPARGPPARATRPA1
SCHEMBL7233399 0.79 KMT2A (0.37) ESR1PPARGEPHX2MAPTKMT2A
SCHEMBL7233403 0.79 KMT2A (0.37) ESR1PPARGEPHX2MAPTKMT2A
SCHEMBL28357691 0.78 MGLL (0.40) MGLLGAAPPARGPPARAMAPT
SCHEMBL7071961 0.77 MGLL (0.41) MGLLGAAPPARGPPARATRPA1
SCHEMBL7070073 0.76 MGLL (0.38) MGLLGAAPPARGPPARATRPA1

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
US-6624179-B1 Analyzed by reversed phase liquid chromatography in which a packing comprising silica having chemically bonded thereto an alkyl group selected from trimethyl, octyl and octadecyl, is used as the stationary phase, and a polar solvent selected ISHIHARA SANGYO KAISHA LTD. (JP) 2003-09-23 US disclosed
EP-0996614-B1 ACRYLONITRILE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 2003-06-11 EP disclosed
EP-1201646-A1 GEOMETRICAL ISOMER OF ACRYLONITRILE COMPOUND, MIXTURE THEREOF, AND PROCESS FOR PRODUCING THESE ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-05-02 EP disclosed
US-6187944-B1 A PHENYL ACRYLONITRILE COMPOUNDS USEFUL AS ACTIVE INGREDIENTS OF AN INSECTICIDE, A MITICIDE, A NEMATICIDE, A SOIL PESTICIDE, A FUNGICIDE AND A MARINE ANTIFOULING AGENT ISHIHARA SANGYO KAISHA LTD. (JP) 2001-02-13 US disclosed