SCHEMBL7188262

SCHEMBL7188262

C=CC(=O)OC(C)c1cccc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
HCAR2 Q8TDS4 1/20 0.44
POLB P06746 1/20 0.44
AOC3 Q16853 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
TRPM8 Q7Z2W7 2/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL28193320 0.82 L3MBTL1 (0.47) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL3685000 0.81 TGM2 (0.46) L3MBTL1HCAR2CES2CES1SMN1; SMN2
SCHEMBL27741306 0.81 L3MBTL1 (0.46) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL28804126 0.80 L3MBTL1 (0.57) L3MBTL1POLBAOC3CES2CES1
SCHEMBL28804124 0.80 L3MBTL1 (0.57) L3MBTL1POLBAOC3CES2CES1
SCHEMBL19944359 0.80 MTNR1A (0.52) L3MBTL1POLBMTNR1AMTNR1BTDP1
SCHEMBL10353073 0.80 CES2 (0.48) L3MBTL1POLBCHRM2CHRM1CHRM3
SCHEMBL7192135 0.79 L3MBTL1 (0.47) L3MBTL1POLBAOC3CES2CES1
SCHEMBL28863896 0.79 HCAR2 (0.67) HCAR2KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL41557 0.79 HCAR2 (0.67) HCAR2KMT2AALDH1A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101381305-A Bactericidal agent intermediate (E)-2-(2'-bromomethyl)phenyl-3-methoxylacrylate preparation method JIANGSU GENGYUN CHEMICAL CO LT (CN) 2009-03-11 CN claimed
CN-101381305-A Bactericidal agent intermediate (E)-2-(2'-bromomethyl)phenyl-3-methoxylacrylate preparation method JIANGSU GENGYUN CHEMICAL CO LT (CN) 2009-03-11 CN disclosed
US-6630079-B2 Bis(2- pyridinethiol-1-oxide) copper salt, does not exert any adverse influence on the storage stability or antifouling effect, and the effect of the salt does not change by the coating with an acrylic resin API CORPORATION (JP) 2003-10-07 US disclosed
EP-1080640-B1 COATED BIS(2-PYRIDINETHIOL-1-OXIDE)COPPER SALT API CORP (JP) 2003-09-10 EP disclosed
US-20030124085-A1 Coated bis (2-pyridinethiol-1-oxide) copper salt API CORPORATION (JP) 2003-07-03 US disclosed
US-6544440-B1 Antifouling active ingredient for a coating for the bottom of a ship, which is safe during handling; rosin coated; biocides API CORPORATION (JP) 2003-04-08 US disclosed
EP-1227111-A1 TRIPHENYLBORON-CONTAINING POLYMERS AND USE THEREOF Yoshitomi Fine Chemicals, Ltd. (JP) 2002-07-31 EP disclosed
EP-1080640-A1 COATED BIS(2-PYRIDINETHIOL 1-OXIDE) COPPER SALT Yoshitomi Fine Chemicals, Ltd. (JP) 2001-03-07 EP disclosed