SCHEMBL6693217

SCHEMBL6693217

C=CCC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.34
TSHR P16473 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
PRKCA P17252 3/20 0.30
NOS1 P29475 2/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
DGAT1 O75907 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL20241539 0.93 CA12 (0.35) CTSKTSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL31612 0.92 GRIK1 (0.35) CTSKTSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL5082914 0.92 GRIK1 (0.35) CTSKTSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL27664481 0.91 SMN1; SMN2 (0.31) CTSKTSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL9650643 0.91 SMN1; SMN2 (0.41) CTSKTSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL7601657 0.90 SMN1; SMN2 (0.32) CTSKTSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL8183510 0.90 SMN1; SMN2 (0.32) CTSKTSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL14349106 0.82
SCHEMBL22205082 0.82 TSHR (0.37) CTSKTSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL16574707 0.82 TSHR (0.35) CTSKTSHRCYP3A4CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110283103-B Method for synthesizing α amino acid ester/amide by base-catalyzed decarboxylation amination 北京理工大学 2020-08-04 CN claimed
WO-2004067623-A2 POLYMIDE RESIN FOR NON-RUBBING VERTICAL ALIGNMENT MATERIALS AND PREPARATION METHOD THEREOF KIM YONG-BAE (KR) 2004-08-12 WO claimed
CN-110283103-B Method for synthesizing α amino acid ester/amide by base-catalyzed decarboxylation amination 北京理工大学 2020-08-04 CN disclosed
US-9291900-B2 Composition for forming resist underlayer film, containing silicon that bears diketone-structure-containing organic group NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-03-22 US disclosed
US-9291900-B2 Composition for forming resist underlayer film, containing silicon that bears diketone-structure-containing organic group NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-03-22 US disclosed
US-9291900-B2 Composition for forming resist underlayer film, containing silicon that bears diketone-structure-containing organic group NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-03-22 US disclosed
US-20150316849-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION CONTAINING SILICON HAVING ESTER GROUP NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-05 US disclosed
US-20150316849-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION CONTAINING SILICON HAVING ESTER GROUP NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-05 US disclosed
EP-2669737-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER FILMS, CONTAINING SILICON THAT BEARS DIKETONE-STRUCTURE-CONTAINING ORGANIC GROUP Nissan Chemical Industries, Ltd. (JP) 2013-12-04 EP disclosed
US-20130302991-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER FILM, CONTAINING SILICON THAT BEARS DIKETONE-STRUCTURE-CONTAINING ORGANIC GROUP NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-11-14 US disclosed
US-20130302991-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER FILM, CONTAINING SILICON THAT BEARS DIKETONE-STRUCTURE-CONTAINING ORGANIC GROUP NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-11-14 US disclosed
US-20130302991-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER FILM, CONTAINING SILICON THAT BEARS DIKETONE-STRUCTURE-CONTAINING ORGANIC GROUP NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-11-14 US disclosed
WO-2004067623-A2 POLYMIDE RESIN FOR NON-RUBBING VERTICAL ALIGNMENT MATERIALS AND PREPARATION METHOD THEREOF KIM YONG-BAE (KR) 2004-08-12 WO disclosed
EP-1401820-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP disclosed
WO-2003000666-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed