SCHEMBL1745694

SCHEMBL1745694

CC1(C)OC(C)(C)C(=O)C(c2ccc(C3CC3)c(Oc3ccc(Cl)cc3Cl)c2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C9 P11712 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
TTR P02766 3/20 0.35
HPGD P15428 2/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
HSPA5 P11021 1/20 0.35
CBR1 P16152 1/20 0.35
TBXA2R P21731 1/20 0.35
AGTR1 P30556 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL418343 0.83 FFAR1 (0.40) SLC6A2HTR1ASLC6A4LMNAMAPT
SCHEMBL869032 0.72 EDNRB (0.37) SLC6A3
SCHEMBL10195057 0.72 MRGPRX4 (0.37) SLC6A2HTR1ASLC6A4LMNAMAPT
SCHEMBL3026367 0.69 PGR (0.39) PGRALDH1A1
SCHEMBL867844 0.66 FASN (0.38)
SCHEMBL412386 0.63 ALDH1A1 (0.38) SLC6A4LMNAMEN1KMT2AALDH1A1
SCHEMBL14983793 0.63 SIGMAR1 (0.38) MAPTPGRMEN1KMT2A
SCHEMBL7186092 0.63 TTR (0.75) SLC6A2SLC6A4CYP2C9LMNAMAPT
SCHEMBL14587466 0.62 GAA (0.43) LMNAMAPTHPGDKMT2AALDH1A1
SCHEMBL14983792 0.62 DGAT1 (0.36) HPGDPGRL3MBTL1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387569-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-11-23 EP disclosed
WO-2010081755-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 WO disclosed