SCHEMBL6409033

SCHEMBL6409033

COc1ccc(C(=O)N(C)C)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
TSHR P16473 2/20 0.66
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 1/20 0.66
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA4 P22748 1/20 0.63
CA6 P23280 1/20 0.63
CA7 P43166 1/20 0.63
TPMT P51580 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
ALDH1A1 P00352 4/20 0.62
HPGD P15428 2/20 0.62
HSD17B10 Q99714 2/20 0.62
BACE1 P56817 1/20 0.62
ELANE P08246 1/20 0.59
MAPT P10636 5/20 0.58

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
SCHEMBL12904386 0.90 CYP2C9 (0.53) CYP2C9CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL30486023 0.87 TSHR (0.63) CYP2C9CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL1436095 0.87 TSHR (0.63) CYP2C9CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL9228779 0.87 TSHR (0.50) CYP2C9CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL1545307 0.85 CYP1A2 (0.69) CYP1A2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL17151146 0.85 CYP1A2 (0.47) CYP2C9CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL12062763 0.85 TAS1R3 (0.49) CYP2C9CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL12505356 0.84 CYP2C19 (0.47) CYP2C9CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL15020075 0.84 ALDH1A1 (0.50) CYP2C9CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL11702564 0.84 ALDH1A1 (0.69) CYP2C9CYP2C19TSHRCYP1A2CYP3A4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
US-9091804-B2 Polymer film, and optically-compensatory film, polarizer and liquid-crystal display device comprising the same FUJIFILM CORPORATION (JP) 2015-07-28 US disclosed
CN-104098482-A Preparation method of 3,4-dimethoxy-N,N-dimethylbenzamide INSIGHT HIGH TECHNOLOGY JIANGSU CO LTD 2014-10-15 CN disclosed
CN-104098482-A Preparation method of 3,4-dimethoxy-N,N-dimethylbenzamide INSIGHT HIGH TECHNOLOGY JIANGSU CO LTD 2014-10-15 CN disclosed
US-8354148-B2 Optical compensation polarizing plate, image display unit and liquid crystal display unit FUJIFILM CORPORATION (JP) 2013-01-15 US disclosed
US-8313814-B2 Cellulose acylate film, method of producing the same, cellulose derivative film, optically compensatory film using the same, optically-compensatory film incorporating polarizing plate, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2012-11-20 US disclosed
US-8233116-B2 Polarizing plate and liquid crystal display FUJIFILM CORPORATION (JP) 2012-07-31 US disclosed
US-8227053-B2 Optically compensatory film, polarizing plate and liquid-crystal display FUJIFILM CORPORATION (JP) 2012-07-24 US disclosed
US-7671947-B2 Optical film, optical compensation film, polarizing plate, liquid crystal display unit and self luminous display unit FUJIFILM CORPORATION (JP) 2010-03-02 US disclosed
US-20090290100-A1 Cellulose Acylate Film, Method of Producing the Same, Cellulose Derivative Film, Optically Compensatory Film Using the Same, Optically-Compensatory Film Incorporating Polarizing Plate, Polarizing Plate and Liquid Crystal Display Device FUJIFILM CORPORATION (JP) 2009-11-26 US disclosed
US-20080309860-A1 Optical Film, Optical Compensation Film, Polarizing Plate, Liquid Crystal Display Unit and Self Luminous Display Unit FUJIFILM CORPORATION (JP) 2008-12-18 US disclosed
US-20080138541-A1 Optical Film, Method for Producing Optical Film, Optically-Compensatory Film, Polarizing Plate and Liquid-Crystal Display Device FUJIFILM CORPORATION (JP) 2008-06-12 US disclosed
US-7318951-B2 Retardation film, producing process thereof and liquid crystal display utilizing the same FUJIFILM CORPORATION (JP) 2008-01-15 US disclosed
US-20070259134-A1 Cellulose Compound Film, Optical Compensation Sheet, Polarizing Plate, and Liquid Crystal Display Device FUJIFILM CORPORATION (JP) 2007-11-08 US disclosed
EP-1575890-A1 PROCESS FOR THE PREPARATION OF 3- 2-(3,4-DIMETHOXY-BENZOYL)- 4,5-DIMETHOXY-PHENYL -PENTAN-2-ONE EGIS GYOGYSZERGYAR RT. (HU) 2005-09-21 EP disclosed
WO-2004054951-A1 PROCESS FOR THE PREPARATION OF 3-[2-(3,4-DIMETHOXY-BENZOYL)-4,5-DIMETHOXY-PHENYL]-PENTAN-2-ONE EGIS GYOGYSZERGYAR RT. (HU) 2004-07-01 WO disclosed
WO-2004054952-A1 PROCESS FOR THE PREPARATION OF 3-[2-(3,4-DIMETHOXYBENZOYL)-4,5- DIMETHOXYPHENYL] -PENTAN-2-ONE EGIS GYOGYSZERGYAR RT. (HU) 2004-07-01 WO disclosed