SCHEMBL22117

SCHEMBL22117

Nc1ccc(C(=O)O)c(CCCCOc2cc(N)ccc2C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
ESR2 Q92731 1/20 0.44
PTPN1 P18031 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 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
SCHEMBL17416884 0.97 ALDH1A1 (0.54) ALDH1A1MAPTCYP3A4KDM4EGAA
SCHEMBL343331 0.87 ALDH1A1 (0.55) ALDH1A1MAPTCYP3A4KDM4EGAA
SCHEMBL29632107 0.87 ALDH1A1 (0.55) ALDH1A1MAPTCYP3A4KDM4EGAA
SCHEMBL30833194 0.86 MAPT (0.53) ALDH1A1MAPTCYP3A4KDM4EGAA
SCHEMBL29632227 0.84 ALDH1A1 (0.55) ALDH1A1MAPTCYP3A4KDM4EGAA
SCHEMBL308882 0.84 ALDH1A1 (0.55) ALDH1A1MAPTCYP3A4KDM4EGAA
SCHEMBL27713617 0.84 ALDH1A1 (0.59) ALDH1A1MAPTCYP3A4PTPN1CYP1A2
SCHEMBL4612211 0.83 ALDH1A1 (0.63) ALDH1A1MAPTCYP3A4KDM4EGAA
SCHEMBL27733996 0.82 ALDH1A1 (0.58) ALDH1A1MAPTCYP3A4PTPN1CYP1A2
SCHEMBL25491034 0.81 ALDH1A1 (0.60) ALDH1A1MAPTCYP3A4KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040258837-A1 Pipe renovating method E. WOOD LIMITED 2004-12-23 US claimed
EP-1488860-A2 Pipe renovating method E. Wood Limited (GB) 2004-12-22 EP claimed
US-6730353-B2 MIXING AN ALIPHATIC POLYISOCYANATE, SUCH AS A HEXAMETHYLENE DIISOCYANATE, AND A POLYAMINE, SUCH AS A POLYOXYPROPYLENEDIAMINE, AND APPLYING THE MIXTURE AS SAID COATING TO SAID SURFACE TO EFFECT REACTION E. WOOD LIMITED (GB) 2004-05-04 US claimed
EP-1179574-B1 Coating for drinking water pipelines WOOD LTD E (GB) 2004-04-14 EP claimed
US-10125289-B2 Composition for interlayer filler of layered semiconductor device, layered semiconductor device, and process for producing layered semiconductor device MITSUBISHI CHEMICAL CORPORATION (JP) 2018-11-13 US disclosed
EP-2603162-B1 DENTAL ARTICLES INCLUDING A CERAMIC AND MICROPARTICLE COATINGS AND METHOD OF MAKING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2018-05-02 EP disclosed
US-20170287866-A1 INTERLAYER FILLER COMPOSITION FOR SEMICONDUCTOR DEVICE AND METHOD FOR PRODUCING SEMICONDUCTOR DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2017-10-05 US disclosed
US-9370404-B2 Aesthetic and abrasion resistant coated dental articles and methods of making the same 3M INNOVATIVE PROPERTIES COMPANY 2016-06-21 US disclosed
US-20160009947-A1 COMPOSITION FOR INTERLAYER FILLER OF LAYERED SEMICONDUCTOR DEVICE, LAYERED SEMICONDUCTOR DEVICE, AND PROCESS FOR PRODUCING LAYERED SEMICONDUCTOR DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2016-01-14 US disclosed
US-9044292-B2 Dental articles including a ceramic and microparticle coating and method of making the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-06-02 US disclosed
US-20130171589-A1 AESTHETIC AND ABRASION RESISTANT COATED DENTAL ARTICLES AND METHODS OF MAKING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-07-04 US disclosed
EP-2603162-A1 DENTAL ARTICLES INCLUDING A CERAMIC AND MICROPARTICLE COATING AND METHOD OF MAKING THE SAME 3M Innovative Properties Company (US) 2013-06-19 EP disclosed
US-20040258837-A1 Pipe renovating method E. WOOD LIMITED 2004-12-23 US disclosed
EP-1488860-A2 Pipe renovating method E. Wood Limited (GB) 2004-12-22 EP disclosed
EP-1486522-A2 Renovating water pipelines E. Wood Limited (GB) 2004-12-15 EP disclosed
US-20040247785-A1 Coating with hexamethylene-1,6-diisocyanateor derivative, 2,2,4-trimethylhexamethylene diisocyanate, isophorone diisocyanate, and 4,4'-dicyclohexylmethane diisocyanate; and blend of diethyl toluenediamine and polyoxypropylene diamine; curing; heated, airless spraying E. WOOD LIMITED 2004-12-09 US disclosed
US-6730353-B2 MIXING AN ALIPHATIC POLYISOCYANATE, SUCH AS A HEXAMETHYLENE DIISOCYANATE, AND A POLYAMINE, SUCH AS A POLYOXYPROPYLENEDIAMINE, AND APPLYING THE MIXTURE AS SAID COATING TO SAID SURFACE TO EFFECT REACTION E. WOOD LIMITED (GB) 2004-05-04 US disclosed
EP-1179574-B1 Coating for drinking water pipelines WOOD LTD E (GB) 2004-04-14 EP disclosed
US-20020045006-A1 Coating for drinking water pipelines 3M INNOVATIVE PROPERTIES COMPANY 2002-04-18 US disclosed
EP-1179574-A1 Coating for drinking water pipelines E. Wood Limited (GB) 2002-02-13 EP disclosed