SCHEMBL845559

SCHEMBL845559

CCCCc1cc(C)c(OC(C)=O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALOX5 P09917 2/20 0.46
GPR84 Q9NQS5 2/20 0.42
SKP2 Q13309 1/20 0.42
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PTGS2 P35354 3/20 0.39
CYP3A4 P08684 3/20 0.39
OPRM1 P35372 1/20 0.39
CYP1A2 P05177 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL8673567 0.82 HTT (0.44) HTTHPGDALOX5HSD17B10KDM4E
SCHEMBL6077824 0.78 ALOX5 (0.36) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL1979635 0.78 CYP4F2 (0.51) HTTHPGDHSD17B10KDM4EMAPT
SCHEMBL292988 0.77 PTGS2 (0.43) HTTALOX5HSD17B10KDM4EMAPT
SCHEMBL3156904 0.77 KDM4E (0.52) HTTHPGDHSD17B10KDM4EMAPT
SCHEMBL24202214 0.77 HTT (0.45) HTTHPGDHSD17B10KDM4EMAPT
SCHEMBL1974691 0.77 HTT (0.45) HTTHPGDALOX5HSD17B10KDM4E
SCHEMBL15463134 0.76 HTT (0.41) HTTHPGDRAB9AALOX5HSD17B10
SCHEMBL27930395 0.76 TRPV1 (0.46) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL28717635 0.75 THRB (0.45) HTTHPGDHSD17B10KDM4EMAPT

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-103980109-B Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds 拜尔农作物科学股份公司 2017-05-03 CN disclosed
CN-103980109-A Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds BAYER CROPSCIENCE AG 2014-08-13 CN disclosed
CN-102471215-B Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds BAYER CROPSCIENCE AG 2014-06-11 CN disclosed
CN-102471215-A Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds BAYER CROPSCIENCE AG 2012-05-23 CN disclosed
EP-2451767-A2 METHOD FOR PRODUCING (2,4-DIMETHYLBIPHENYL-3-YL)ACETIC ACIDS, THE ESTERS THEREOF AND INTERMEDIATE COMPOUNDS Bayer CropScience AG (DE) 2012-05-16 EP disclosed
WO-2011003530-A8 METHOD FOR PRODUCING (2,4-DIMETHYLBIPHENYL-3-YL)ACETIC ACIDS, THE ESTERS THEREOF AND INTERMEDIATE COMPOUNDS BAYER CROPSCIENCE AG (DE) 2012-01-12 WO disclosed
WO-2011003530-A3 METHOD FOR PRODUCING (2,4-DIMETHYLBIPHENYL-3-YL)ACETIC ACIDS, THE ESTERS THEREOF AND INTERMEDIATE COMPOUNDS BAYER CROPSCIENCE AG (DE) 2011-03-17 WO disclosed
WO-2011003530-A2 METHOD FOR PRODUCING (2,4-DIMETHYLBIPHENYL-3-YL)ACETIC ACIDS, THE ESTERS THEREOF AND INTERMEDIATE COMPOUNDS BAYER CROPSCIENCE AG (DE) 2011-01-13 WO disclosed