SCHEMBL1132003

SCHEMBL1132003

CC1(C)C(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)C(C)(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
HPGD P15428 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPD P32754 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL9871935 0.86 SMN1; SMN2 (0.48) POLBHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL14155650 0.86 TSHR (0.44) POLBHPGDCYP3A4HPDNPC1
SCHEMBL2460810 0.81 HPD (0.65) CYP1A2CYP3A4CYP2C19FLT1FLT4
SCHEMBL9240067 0.81 HPD (0.46) POLBHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL9711504 0.79 SMN1; SMN2 (0.41) POLBHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL9814693 0.79 SMN1; SMN2 (0.44) POLBHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL9738404 0.79 HPD (0.38) HPGDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL9874527 0.79 HPD (0.42) POLBHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL12861176 0.79 ALDH1A1 (0.44) CYP1A2SMN1; SMN2RAB9AALDH1A1
SCHEMBL998548 0.78 SMN1; SMN2 (0.43) POLBHPGDCYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8771959-B2 Methods for the production of plants resistant to HPPD herbicides SYNGENTA LIMITED (GB) 2014-07-08 US claimed
EP-2287292-B1 PLANT DERIVED HYDROXY PHENYL PYRUVATE DIOXYGNEASES (HPPD) RESISTANT AGAINST TRIKETONE HERBICIDES AND TRANSGENIC PLANTS CONTAINING THESE DIOXYGENASES SYNGENTA LTD (GB) 2015-04-08 EP disclosed
US-8771959-B2 Methods for the production of plants resistant to HPPD herbicides SYNGENTA LIMITED (GB) 2014-07-08 US disclosed
US-8771959-B2 Methods for the production of plants resistant to HPPD herbicides SYNGENTA LIMITED (GB) 2014-07-08 US disclosed
US-8735660-B2 Methods for the production of plants resistant to HPPD herbicides SYNGENTA LIMITED (GB) 2014-05-27 US disclosed
EP-1341903-B1 PLANT DERIVED HYDROXY PHENYL PYRUVATE DIOXYGNEASES (HPPD) RESISTANT AGAINST TRIKETONE HERBICIDES AND TRANSGENIC PLANTS CONTAINING THESE DIOXYGENASES SYNGENTA LTD (GB) 2012-12-26 EP disclosed
US-8053641-B2 Using arabidopsis hydroxy phenyl pyruvate (or pyruvic acid) dioxygenase (HPPD) mutant as screening tool in identifying herbicide resistant plants SYNGENTA LIMITED (GB) 2011-11-08 US disclosed
US-8053641-B2 Using arabidopsis hydroxy phenyl pyruvate (or pyruvic acid) dioxygenase (HPPD) mutant as screening tool in identifying herbicide resistant plants SYNGENTA LIMITED (GB) 2011-11-08 US disclosed
EP-2287292-A2 Plant derived hydroxy phenyl pyruvate dioxygneases (HPPD) resistant against triketone herbicides and transgenic plants containing these dioxygenases Syngenta Limited (GB) 2011-02-23 EP disclosed
US-20090172831-A1 Methods for the production of plants resistant to HPPD herbicides SYNGENTA LIMITED 2009-07-02 US disclosed
US-5006162-A Controlling weeds ICI AMERICAS INC. (US) 1991-04-09 US disclosed
US-5006158-A Herbicides ICI AMERICAS INC. (US) 1991-04-09 US disclosed
US-4946981-A HERBICIDES ICI AMERICAS INC. (US) 1990-08-07 US disclosed
US-4853028-A Certain 2-(2-substituted benzoyl)-1,3-cyclohexanediones STAUFFER CHEMICAL COMPANY (US) 1989-08-01 US disclosed
US-4822906-A HERBICIDE INTERMEDIATE STAUFFER CHEMICAL COMPANY (US) 1989-04-18 US disclosed
US-4816066-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1989-03-28 US disclosed
US-4806146-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1989-02-21 US disclosed
US-4797150-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1989-01-10 US disclosed
US-4780127-A Certain 2-(substituted benzoyl)-1,3-cyclohexanediones and their use as herbicides STAUFFER CHEMICAL COMPANY (US) 1988-10-25 US disclosed
US-4695673-A Process for the production of acylated 1,3-dicarbonyl compounds STAUFFER CHEMICAL COMPANY (US) 1987-09-22 US disclosed