SCHEMBL424461

SCHEMBL424461

Cc1cc(C)cc(NC=O)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
RAPGEF4 Q8WZA2 1/20 0.41
THRB P10828 2/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
ERN1 O75460 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HSP90AA1 P07900 1/20 0.34
CCR6 P51684 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL17748457 0.84 RAPGEF4 (0.42) ALDH1A1RAPGEF4THRBKDM4ELMNA
SCHEMBL6740663 0.81 ALDH1A1 (0.39) ALDH1A1RAPGEF4LMNANPSR1MEN1
SCHEMBL1588979 0.80 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2A
SCHEMBL6740662 0.80 NPSR1 (0.34) ALDH1A1KDM4ENPSR1TSHRCYP3A4
SCHEMBL6742547 0.80 ALDH1A1 (0.33) ALDH1A1THRBKDM4ELMNANPSR1
SCHEMBL7352511 0.79 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL17670394 0.78 TSHR (0.59) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL20746578 0.77 CNR2 (0.46) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL29960043 0.77 ALDH1A1 (0.54) ALDH1A1NPSR1MEN1KMT2AHTT
SCHEMBL1172185 0.77 ALDH1A1 (0.54) ALDH1A1NPSR1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109142607-A The method of Amitraz and metabolite residual quantity in QuEChERS- liquid chromatography-mass spectrography/mass spectrometric determination honey 浙江省检验检疫科学技术研究院 2019-01-04 CN claimed
CN-109001362-A Dispersive solid-phase extraction-liquid chromatography-mass spectrography/mass spectrography measures the method for Amitraz and metabolite residual quantity in royal jelly simultaneously 浙江省检验检疫科学技术研究院 2018-12-14 CN claimed
CN-107102082-A The method of Amitraz and its metabolite residual quantity in liquid chromatography mass/mass spectrometric determination royal jelly 浙江省检验检疫科学技术研究院 2017-08-29 CN claimed
CN-102633892-B Polysaccharide derivates and the agent for separating optical isomers containing this polysaccharide derivates DAICEL CHEMICAL INDUSTRIES CO., LTD. (JP) 2016-02-24 CN claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-0238044-B1 ALKYL-SUBSTITUTED PHENYLCARBAMATE DERIVATIVE OF POLYSACCARIDE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-03 EP claimed
US-4912205-A Hydroxy group of polysaccharide substituted by phenylcarbamoyl group DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1990-03-27 US claimed
US-4861872-A Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-29 US claimed
EP-0281951-A1 Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-14 EP claimed
EP-0238044-A2 Alkyl-substituted phenylcarbamate derivative of polysaccaride DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1987-09-23 EP claimed
EP-3169430-B1 NEW ULTRAHIGH EFFICIENCY, SUPERFICIALLY POROUS PARTICLE (SPP) CHIRAL PHASES FOR LIQUID CHROMATOGRAPHY AZYP LLC (US) 2021-11-10 EP disclosed
US-10272364-B2 Superficially porous particle (SPP) chiral phases for liquid chromatography AZYP, LLC (US) 2019-04-30 US disclosed
CN-109142607-A The method of Amitraz and metabolite residual quantity in QuEChERS- liquid chromatography-mass spectrography/mass spectrometric determination honey 浙江省检验检疫科学技术研究院 2019-01-04 CN disclosed
CN-109001362-A Dispersive solid-phase extraction-liquid chromatography-mass spectrography/mass spectrography measures the method for Amitraz and metabolite residual quantity in royal jelly simultaneously 浙江省检验检疫科学技术研究院 2018-12-14 CN disclosed
EP-0552824-A2 Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0238044-B1 ALKYL-SUBSTITUTED PHENYLCARBAMATE DERIVATIVE OF POLYSACCARIDE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-03 EP disclosed
US-4861872-A Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-29 US disclosed
EP-0281951-A1 Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-14 EP disclosed