SCHEMBL7070108

SCHEMBL7070108

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.41
GAA P10253 2/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 1/20 0.34
LTC4S Q16873 1/20 0.34
TRPA1 O75762 1/20 0.34
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
P2RX7 Q99572 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIK1 P39086 1/20 0.33
CNR1 P21554 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
EPHX2 P34913 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
SCHEMBL162916 0.93 MGLL (0.42) MGLLGAAPPARGPPARALTC4S
SCHEMBL7071399 0.90 MGLL (0.39) MGLLGAAPPARGPPARALTC4S
SCHEMBL7071370 0.85 MGLL (0.45) MGLLGAAPPARGPPARALTC4S
SCHEMBL7071368 0.85 MGLL (0.45) MGLLGAAPPARGPPARALTC4S
SCHEMBL28357691 0.81 MGLL (0.40) MGLLGAAPPARGPPARALTC4S
SCHEMBL7235547 0.81 MEN1 (0.37) GAAPPARGMAPTNPC1LMNA
SCHEMBL7235541 0.81 MEN1 (0.37) GAAPPARGMAPTNPC1LMNA
SCHEMBL7071961 0.80 MGLL (0.41) MGLLGAAPPARGPPARALTC4S
SCHEMBL7070073 0.80 MGLL (0.38) MGLLGAAPPARGPPARALTC4S
SCHEMBL7070072 0.80 MGLL (0.38) MGLLGAAPPARGPPARALTC4S

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