SCHEMBL1833242

SCHEMBL1833242

CC(C)c1cc(C(=O)O)nn1-c1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 3/20 0.64
MARS1 P56192 8/20 0.60
LMNA P02545 1/20 0.54
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CNR2 P34972 3/20 0.45
CNR1 P21554 2/20 0.45
PPP1CA P62136 2/20 0.44
NOTUM Q6P988 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL31518945 0.84 RPA1 (0.68) RPA1MARS1LMNAGABRA2GABRB2
SCHEMBL1831047 0.84 RPA1 (0.68) RPA1MARS1LMNAGABRA2GABRB2
SCHEMBL29419074 0.84 GABRA2 (0.54) RPA1LMNAGABRA2GABRB2SMN1; SMN2
SCHEMBL341960 0.84 GABRA2 (0.54) RPA1LMNAGABRA2GABRB2SMN1; SMN2
SCHEMBL28813496 0.83 MARS1 (0.51) RPA1MARS1LMNAGABRA2GABRB2
SCHEMBL5204718 0.80 LMNA (0.49) RPA1LMNACNR2CNR1
SCHEMBL1830046 0.80 RPA1 (0.62) RPA1MARS1LMNAGABRA2GABRB2
SCHEMBL29687196 0.80 RPA1 (0.62) RPA1MARS1LMNAGABRA2GABRB2
SCHEMBL2871062 0.78 RPA1 (1.00) RPA1MARS1LMNASMN1; SMN2CNR1
SCHEMBL1514645 0.77 MARS1 (0.95) RPA1MARS1LMNASMN1; SMN2PPP1CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101160049-B Spiroketal-substituted cyclic ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-11 CN claimed
EP-1943218-B1 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER IP GMBH (DE) 2015-05-06 EP claimed
EP-1966135-B1 3'-ALKOXY-SPIROCYCLOPENTYL-SUBSTITUTED TETRAMIC AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2013-10-09 EP claimed
EP-1761490-B1 3'-ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2011-09-07 EP claimed
EP-1606254-B1 2,4,6-PHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2011-05-11 EP claimed
EP-1303189-B1 ARYL SULFONYL AMINO CARBONYL TRIAZOLE BASED SELECTIVE HERBICIDES BAYER CROPSCIENCE AG (DE) 2005-08-24 EP claimed
US-5401700-A Plant protection agents based on pyrazolecarboxylic acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-28 US claimed
EP-3638665-A1 HERBICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES OF TETRAHYDRO AND DIHYDROFURAN CARBOXYLIC ACIDS AND ESTERS Bayer Aktiengesellschaft (DE) 2020-04-22 EP disclosed
CN-110337436-A Substituted 1,2,4- thiadiazolyl group pyrrolones and 1,2,4- thiadiazolyl group hydantoins and its salt and its purposes as herbicide 拜耳作物科学股份公司 2019-10-15 CN disclosed
EP-3497092-A1 SUBSTITUTED PYRAZOLINYL DERIVATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND/OR PLANT GROWTH REGULATORS Bayer CropScience Aktiengesellschaft (DE) 2019-06-19 EP disclosed
EP-3493677-A1 AQUEOUS 2-(2,4-DICHLOROPHENYL)METHYL -4,4-DIMETHYL-3-ISOXAZOLIDINONE-BASED CAPSULE SUSPENSION CONCENTRATES Bayer CropScience Aktiengesellschaft (DE) 2019-06-12 EP disclosed
EP-3419418-A1 SOLVENT-FREE FORMULATIONS OF LOW-MELTING ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-01-02 EP disclosed
EP-3116871-A1 USE OF N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR THEIR SALTS FOR CONTROLLING UNWANTED PLANTS IN AREAS OF TRANSGENIC CROP PLANTS BEING TOLERANT TO HPPD INHIBITOR HERBICIDES Bayer CropScience Aktiengesellschaft (DE) 2017-01-18 EP disclosed
EP-1592674-A1 AMINO 1, 3, 5-TRIAZINES N-SUBSTITUTED WITH CHIRAL BICYCLIC RADICALS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS THEREOF AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience GmbH (DE) 2005-11-09 EP disclosed
EP-1515606-A2 COMBINATIONS OF HERBICIDAL AROMATIC CARBOXYLIC ACIDS AND SAFENERS Bayer CropScience GmbH (DE) 2005-03-23 EP disclosed
WO-2004069814-A1 AMINO 1, 3, 5-TRIAZINES N-SUBSTITUTED WITH CHIRAL BICYCLIC RADICALS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS THEREOF AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE GMBH (DE) 2004-08-19 WO disclosed
WO-2003103394-A2 COMBINATIONS OF HERBICIDAL AROMATIC CARBOXYLIC ACIDS AND SAFENERS BAYER CROPSCIENCE GMBH (DE) 2003-12-18 WO disclosed
CN-1373635-A Novel herbicidal compositions AVENTIS CROPSCIENCE UK LTD (GB) 2002-10-09 CN disclosed
CN-1189763-A Herbicidal compositions comprising 4-iodo-2- [ 3- (4-methoxy-6-methyl-1, 3, 5-triazin-2-yl) ureidosulfonyl ] benzoates HOECHST SCHERING AGREVO GMBH (DE) 1998-08-05 CN disclosed
US-5159086-A Cyclization in presence of inorganic base; aromatization HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-27 US disclosed