SCHEMBL7066483

SCHEMBL7066483

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
GAA P10253 1/20 0.33
TRPA1 O75762 1/20 0.32
MAPT P10636 1/20 0.31
P2RX7 Q99572 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
LTC4S Q16873 1/20 0.31
ESR1 P03372 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
GRM5 P41594 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30

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
SCHEMBL7071961 0.84 MGLL (0.41) MGLLPPARGPPARAGAATRPA1
SCHEMBL7071399 0.84 MGLL (0.39) MGLLPPARGPPARAGAATRPA1
SCHEMBL162916 0.77 MGLL (0.42) MGLLPPARGPPARAGAATRPA1
SCHEMBL7070108 0.77 MGLL (0.41) MGLLPPARGPPARAGAATRPA1
SCHEMBL7071368 0.77 MGLL (0.45) MGLLPPARGPPARAGAATRPA1
SCHEMBL28357691 0.77 MGLL (0.40) MGLLPPARGPPARAGAAMAPT
SCHEMBL7071370 0.77 MGLL (0.45) MGLLPPARGPPARAGAATRPA1
SCHEMBL7070068 0.76 MGLL (0.37) MGLLPPARGPPARAGAAMAPT
SCHEMBL7070125 0.76 MGLL (0.37) MGLLPPARGPPARAGAAMAPT
SCHEMBL7069934 0.76 MGLL (0.37) MGLLPPARGPPARAGAATRPA1

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
EP-0996614-B1 ACRYLONITRILE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 2003-06-11 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