SCHEMBL2804115

SCHEMBL2804115

CCOC(=S)N(CC(C)C)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.48
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
CA9 Q16790 6/20 0.48
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 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
Butyric Acid SCHEMBL2380332 0.84 FFAR3 (0.42) CA12CA1CA2CA9
SCHEMBL30409888 0.83 CA12 (0.38) CA12CA1CA2CA9
SCHEMBL28836119 0.80 CA12 (0.37) CA12CA1CA2CA9CHRNB2
SCHEMBL30454829 0.79 CA12 (0.34) CA12CA1CA2CA9KMT2A
SCHEMBL9875553 0.77 CA12 (0.43) CA12CA1CA2CA9MEN1
SCHEMBL4015605 0.75 CA12 (0.43) CA12CA1CA2CA9KMT2A
SCHEMBL30725960 0.74 ALDH1A1 (0.33) CA12CA1CA2CA9MEN1
SCHEMBL28178872 0.73 CA12 (0.42) CA12CA1CA2CA9KMT2A
SCHEMBL29694576 0.73 ALDH1A1 (0.31) CA12CA1CA2CA9
SCHEMBL10087929 0.73 CA12 (0.46) CA12CA1CA2CA9MEN1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7901701-B2 Methods for producing dried pesticide compositions LIGNOTECH USA, INC. (US) 2011-03-08 US claimed
US-20100278890-A1 Use of Lignosulfonates in Suspo-emulsions for Producing Pesticide Compositions LIGNOTECH USA, INC. (US) 2010-11-04 US claimed
US-20090110707-A1 Methods for Producing Pesticide Compositions LIGNOTECH USA, INC. 2009-04-30 US claimed
EP-1423009-A2 HERBICIDES MADE FROM SUBSTITUTED ARYL KETONES Bayer CropScience AG (DE) 2004-06-02 EP claimed
WO-2003017766-A2 HERBICIDES MADE FROM SUBSTITUTED ARYL KETONES BAYER CROPSCIENCE AG (DE) 2003-03-06 WO claimed
WO-2003000058-A1 SELECTIVE HERBICIDES BASED ON PYRIMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-01-03 WO claimed
EP-0565593-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1993-10-20 EP claimed
EP-0141373-B1 DELIVERY SYSTEM FOR MERISTEMATIC TISSUE PLANT GENETICS, INC. (US) 1991-10-16 EP claimed
CN-108348886-A The method for preparing microcapsules by double emulsifications 卡莉西亚公司 2018-07-31 CN disclosed
EP-2908639-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES Bayer Cropscience AG (DE) 2015-08-26 EP disclosed
WO-2014060502-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-04-24 WO disclosed
EP-2544530-A2 BIODIESEL SOLVENTS IN PESTICIDE COMPOSITIONS Auburn University (US) 2013-01-16 EP disclosed
US-7901701-B2 Methods for producing dried pesticide compositions LIGNOTECH USA, INC. (US) 2011-03-08 US disclosed
US-20100278890-A1 Use of Lignosulfonates in Suspo-emulsions for Producing Pesticide Compositions LIGNOTECH USA, INC. (US) 2010-11-04 US disclosed
WO-1983000331-A1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LTD (GB) 1983-02-03 WO disclosed
WO-1983000332-A1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LTD (GB) 1983-02-03 WO disclosed
EP-0034945-A2 N-phenylpyrazole derivatives MAY & BAKER LIMITED (GB) 1981-09-02 EP disclosed
US-4283547-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1981-08-11 US disclosed
US-4263037-A 5-Cyano-2,3-dihydrobenzofurans useful as herbicides FISONS LIMITED (GB) 1981-04-21 US disclosed
US-3953427-A Process for the preparation of substituted S-alkyl thio-carbamates ESZAKMAGYARORSZAGI VEGYIMUVEK (HU) 1976-04-27 US disclosed