SCHEMBL1702374

SCHEMBL1702374

CS(=O)(=O)c1ccc(C(=O)C2CCCCC2)c(Cl)c1COCC(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 2/20 0.32
MRGPRX1 Q96LB2 2/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
PPARG P37231 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN9A Q15858 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL31299930 1.00 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
Tembotrione SCHEMBL29352862 0.84 HPD (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1MEN1
Tembotrione SCHEMBL116424 0.84 HPD (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1MEN1
Tembotrione SCHEMBL3225813 0.84 HPD (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1MEN1
Tembotrione SCHEMBL20723452 0.84 HPD (0.37) ALDH1A1MEN1KMT2AGAA
Tembotrione SCHEMBL20723428 0.84 HPD (0.37) ALDH1A1MEN1KMT2AGAA
SCHEMBL16547015 0.82 ALDH1A1 (0.36) LMNAALDH1A1MEN1KMT2ADDR1
SCHEMBL1992300 0.82 ALDH1A1 (0.42) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL31223249 0.82 ALDH1A1 (0.36) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL26410270 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931760-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS The University of Alabama (US) 2008-06-18 EP claimed
WO-2007044693-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS THE UNIVERSITY OF ALABAMA (US) 2007-04-19 WO claimed
CN-1265707-C Herbicidal composition containing benzoyl derivatives, nitrogen-containing fertilizers and adjuvants BAYER CROPSCIENCE GMBH (DE) 2006-07-26 CN claimed
CN-1509142-A Herbicidal composition containing benzoyl derivatives, nitrogen-containing fertilizers and adjuvants �Ϻ���ͨ��ѧ 2004-06-30 CN claimed
WO-2023107636-A1 NEW USES OF PHENMEDIPHAM AND HERBICIDAL COMBINATIONS COMPRISING PHENMEDIPHAM BAYER AKTIENGESELLSCHAFT (DE) 2023-06-15 WO disclosed
CN-114621122-A Process for the preparation of a cyclic sulphonone metabolite 南通泰禾化工股份有限公司 2022-06-14 CN disclosed
WO-2020006778-A1 NEW CRYSTAL FORM OF TEMBOTRIONE 安徽久易农业股份有限公司 2020-01-09 WO disclosed
WO-2016077290-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-05-19 WO disclosed
CN-101731263-B Synergistic herbicidal agents BAYER CROPSCIENCE AG 2013-10-30 CN disclosed
CN-101584326-B Synergistic herbicidal composition BAYER CROPSCIENCE AG 2013-04-17 CN disclosed
CN-102596933-A Herbicidal pyrimidone derivatives DU PONT 2012-07-18 CN disclosed
WO-2012006313-A2 HERBICIDAL COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-01-12 WO disclosed
CN-101731263-A Synergistic herbicidal agents BAYER CROPSCIENCE AG 2010-06-16 CN disclosed
CN-100563441-C Synergistic herbicidal composition BAYER CROPSCIENCE GMBH (DE) 2009-12-02 CN disclosed
CN-101584326-A Synergistic herbicidal agents BAYER CROPSCIENCE GMBH (DE) 2009-11-25 CN disclosed
EP-1931760-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS The University of Alabama (US) 2008-06-18 EP disclosed
WO-2007044693-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS THE UNIVERSITY OF ALABAMA (US) 2007-04-19 WO disclosed
CN-1265707-C Herbicidal composition containing benzoyl derivatives, nitrogen-containing fertilizers and adjuvants BAYER CROPSCIENCE GMBH (DE) 2006-07-26 CN disclosed
CN-1599555-A Synergistic herbicidal composition BAYER CROPSCIENCE GMBH (DE) 2005-03-23 CN disclosed
CN-1509142-A Herbicidal composition containing benzoyl derivatives, nitrogen-containing fertilizers and adjuvants �Ϻ���ͨ��ѧ 2004-06-30 CN disclosed