SCHEMBL9028253

SCHEMBL9028253

COC=CC(=O)O.Cc1ccccc1C=C(F)c1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAOB P27338 6/20 0.36
NOTUM Q6P988 1/20 0.36
EPHX1 P07099 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
XBP1 P17861 1/20 0.34
P4HB P07237 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
DHODH Q02127 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
SCHEMBL9028355 0.87 MAPT (0.41) MAPTMEN1KMT2ALMNAHTT
SCHEMBL9401168 0.83 GAA (0.44) MEN1KMT2ALMNAHTTNPSR1
SCHEMBL9401109 0.80 ALDH1A1 (0.39) MEN1KMT2ANPC1RAB9AMAOB
SCHEMBL9029108 0.73 TAS2R14 (0.39) MAPTMEN1KMT2ALMNAHTT
SCHEMBL9028921 0.73 TAS2R14 (0.39) MAPTMEN1KMT2ALMNAHTT
SCHEMBL9027887 0.70 MAPT (0.40) MAPTMEN1KMT2ALMNANPC1
SCHEMBL9550387 0.69 L3MBTL1 (0.36) MAPTMEN1KMT2ALMNANOTUM
SCHEMBL9401106 0.69 ALDH1A1 (0.58) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL9028773 0.68 SCN10A (0.47) MAPTLMNAXBP1
SCHEMBL9401101 0.68 MAPT (0.44) MAPTMEN1KMT2ALMNAHTT

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