SCHEMBL9028355

SCHEMBL9028355

COC=CC(=O)O.FC(=Cc1ccccc1)c1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
NOTUM Q6P988 1/20 0.39
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
EPHX1 P07099 2/20 0.37
P4HB P07237 2/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
XBP1 P17861 1/20 0.36
TNFRSF1A P19438 1/20 0.35
MAOB P27338 4/20 0.34
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
DDR1 Q08345 1/20 0.33
EPHX2 P34913 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
SCHEMBL9028253 0.87 MAPT (0.38) MAPTMEN1KMT2ALMNANOTUM
SCHEMBL9028833 0.78 MAOB (0.46) MAPTMEN1KMT2ALMNANPC1
SCHEMBL9029110 0.77 KMT2A (0.40) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL9120058 0.71 AKR1C3 (0.43) MEN1KMT2AHTT
SCHEMBL9550387 0.70 L3MBTL1 (0.36) MAPTMEN1KMT2ALMNANOTUM
SCHEMBL9029108 0.70 TAS2R14 (0.39) MAPTMEN1KMT2ALMNANOTUM
SCHEMBL9028921 0.70 TAS2R14 (0.39) MAPTMEN1KMT2ALMNANOTUM
SCHEMBL9401168 0.70 GAA (0.44) MEN1KMT2ALMNANPSR1HTT
SCHEMBL9027944 0.67 NPC1 (0.39) MAPTMEN1KMT2ALMNANPC1
SCHEMBL9401109 0.67 ALDH1A1 (0.39) MEN1KMT2ANPC1RAB9AMAOB

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
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
EP-0544587-A1 Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1993-06-02 EP claimed
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 disclosed
EP-0544587-A1 Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1993-06-02 EP disclosed