SCHEMBL9027869

SCHEMBL9027869

CO/C=C(\C(=O)OC)c1ccccc1/C=C(/F)c1nc(-c2ccc(OC(F)(F)F)cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.47
MAPT P10636 4/20 0.39
PKM P14618 2/20 0.39
XBP1 P17861 1/20 0.39
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
CASP3 P42574 1/20 0.37
TP53 P04637 2/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SMPD1 P17405 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL9027447 0.89 ALDH1A1 (0.39) MAPTLMNAKMT2ATSHRMEN1
SCHEMBL9028773 0.77 SCN10A (0.47) SCN10AMAPTPKMXBP1DPP4
SCHEMBL9028408 0.75 SCN10A (0.48) SCN10AMAPTPKMXBP1DPP4
SCHEMBL15489376 0.71 SCN10A (0.64) SCN10AMAPTPKMXBP1DPP4
SCHEMBL15489362 0.70 SCN10A (0.70) SCN10AMAPTPKMXBP1DPP4
SCHEMBL15487665 0.70 SCN10A (0.60) SCN10AMAPTPKMXBP1DPP4
SCHEMBL15491561 0.69 SCN10A (0.62) SCN10AMAPTPKMXBP1DPP4
SCHEMBL9572174 0.69 NR1H4 (0.44) SCN10AS1PR1
SCHEMBL18810467 0.69 SCN10A (0.65) SCN10AMAPTPKMXBP1DPP4
SCHEMBL1114128 0.68 SCN10A (0.61) SCN10AMAPTPKMXBP1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544587-B1 Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1996-05-29 EP claimed