SCHEMBL9066178

SCHEMBL9066178

CCOC1Oc2ccc(C)cc2C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.37
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 2/20 0.32
USP2 O75604 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL11319914 0.83 GAA (0.47) GAA
SCHEMBL13492306 0.82 PDK2 (0.38) MEN1LMNAMAPTHTTKMT2A
SCHEMBL11216468 0.80 KCNE1 (0.38) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL9755753 0.79 AKR1B1 (0.33) AKR1B1SIGMAR1PGRALDH1A1
SCHEMBL10693859 0.79 AKR1B1 (0.32) AKR1B1
Ethofumesate SCHEMBL8536662 0.76 CA2 (0.37) POLBMEN1LMNAMAPTHTT
Ethofumesate SCHEMBL55264 0.76 CA2 (0.37) POLBMEN1LMNAMAPTHTT
Ethofumesate SCHEMBL5475440 0.76 CA2 (0.37) POLBMEN1LMNAMAPTHTT
SCHEMBL11254527 0.76 ALPI (0.38) NQO1POR
SCHEMBL986774 0.76 NR3C1 (0.31) NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711112-A1 HERBICIDE COMPOSITION, ACTIVITY-PROMOTING AGENT FOR IMPROVING THE EFFICACY OF THE HERBICIDE, AND A METHOD FOR TREATING CULTIVATED PLANTS KEMIRA OY (FI) 1996-05-15 EP claimed
WO-1995003697-A1 HERBICIDE COMPOSITION, ACTIVITY-PROMOTING AGENT FOR IMPROVING THE EFFICACY OF THE HERBICIDE, AND A METHOD FOR TREATING CULTIVATED PLANTS KEMIRA OY (FI) 1995-02-09 WO claimed
US-4188202-A HERBICIDE, SULFONATED BENZOFURAN, ETHYLENE OXIDEPROPYLENE OXIDE BLOCK COPOLYMER NONIONIC SURFACTANT, XANTHOMONAS HYDROPHILIC COLLOID, ANIONIC DEFLOCCULANT FISONS LIMITED (GB) 1980-02-12 US claimed
US-4091033-A Method of making 2-alkoxy-2,3-dihydro-benzofuran-5-ols and their alkyl sulfonic acid esters FISONS LIMITED (EN) 1978-05-23 US claimed
EP-0328217-B1 ETHOFUMESATE CONCENTRATE AGRICHEM B.V. (NL) 1992-10-28 EP disclosed
EP-0328217-A1 Ethofumesate concentrate AGRICHEM B.V. (NL) 1989-08-16 EP disclosed
US-4345932-A BENZOFURANYL ESTERS FISONS LIMITED (GB) 1982-08-24 US disclosed
US-4157255-A 2-AMINO-BENZOFURAN-2-YL METHANE SULFONATE FISONS LIMITED (GB) 1979-06-05 US disclosed
US-4120871-A HERBICIDES, PLANT GROWTH REGULATORS FISONS LIMITED (GB) 1978-10-17 US disclosed
US-4091033-A Method of making 2-alkoxy-2,3-dihydro-benzofuran-5-ols and their alkyl sulfonic acid esters FISONS LIMITED (EN) 1978-05-23 US disclosed