SCHEMBL560893

SCHEMBL560893

CCc1ccc(-c2ccc(Cl)cc2)cc1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
ENPP2 Q13822 1/20 0.38
PTGER4 P35408 1/20 0.37
HSD17B1 P14061 2/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
ERN1 O75460 1/20 0.36
FFAR1 O14842 1/20 0.36
AOC3 Q16853 2/20 0.35
AHR P35869 1/20 0.35
CNR1 P21554 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
CYP1A2 P05177 1/20 0.34
ALAD P13716 1/20 0.34
NOTUM Q6P988 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34

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
SCHEMBL12101764 0.86 ALOX5 (0.41) ALOX5ENPP2PTGER4HSD17B1ERCC5
SCHEMBL4284077 0.85 GGPS1 (0.41) ENPP2ERN1CYP1A2FLT1FLT4
SCHEMBL12603786 0.79 ALOX5 (0.41) ALOX5PTGER4HSD17B1ERCC5FEN1
SCHEMBL13042282 0.79 AHR (0.39) ALOX5ENPP2PTGER4HSD17B1ERN1
SCHEMBL12603775 0.77 AHR (0.50) ALOX5HSD17B1ERCC5FEN1AHR
SCHEMBL559918 0.76 ALDH1A1 (0.41) ALOX5HTR2BAOC3AHRCYP1A2
SCHEMBL513451 0.76 ALOX5 (0.45) ALOX5ENPP2ERN1AHRCNR1
SCHEMBL12603790 0.74 HTR2C (0.47) ALOX5HTR2CHTR2BAHRCNR1
SCHEMBL449516 0.74 ALOX5 (0.39) ALOX5HSD17B1ERCC5FEN1AOC3
SCHEMBL3024784 0.74 ALOX5 (0.44) ALOX5ENPP2HTR2CERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155645-B1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LTD (GB) 2017-06-14 EP disclosed
EP-2173755-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2017-05-17 EP disclosed
US-9006429-B2 Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives SYNGENTA CROP PROTECTION, LLC (US) 2015-04-14 US disclosed
US-9006429-B2 Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives SYNGENTA CROP PROTECTION, LLC (US) 2015-04-14 US disclosed
US-9006429-B2 Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives SYNGENTA CROP PROTECTION, LLC (US) 2015-04-14 US disclosed
US-8940913-B2 Herbicides SYNGENTA CROP PROTECTION, LLC (US) 2015-01-27 US disclosed
US-8940913-B2 Herbicides SYNGENTA CROP PROTECTION, LLC (US) 2015-01-27 US disclosed
US-8828908-B2 Herbicidally active bicyclic 1,3-dione compounds SYNGENTA LIMITED (GB) 2014-09-09 US disclosed
US-8828908-B2 Herbicidally active bicyclic 1,3-dione compounds SYNGENTA LIMITED (GB) 2014-09-09 US disclosed
EP-2102181-B1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-06-18 EP disclosed
WO-2010046194-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-04-29 WO disclosed
EP-2134699-A1 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3-DIONE COMPOUNDS AND THEIR USE AS HERBICIDES Syngeta Participations AG (CH) 2009-12-23 EP disclosed
EP-2121584-A2 NOVEL HERBICIDES Syngeta Participations AG (CH) 2009-11-25 EP disclosed
EP-2102181-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES Syngeta Participations AG (CH) 2009-09-23 EP disclosed
WO-2009019015-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-12 WO disclosed
WO-2008145336-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LIMITED (GB) 2008-12-04 WO disclosed
WO-2008110307-A1 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3-DIONE COMPOUNDS AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed
WO-2008110308-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed
WO-2008071405-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-06-19 WO disclosed
WO-2008071405-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-06-19 WO disclosed