SCHEMBL2831676

SCHEMBL2831676

COC(=O)C1(C(=O)OOC(C)(C)C)C=CC(C(=O)c2ccccc2)=CC1(C(=O)OC)C(=O)OOC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ELANE P08246 5/20 0.38
GAA P10253 1/20 0.36
ABCC9 O60706 5/20 0.34
ABCC8 Q09428 5/20 0.34
KCNJ11 Q14654 5/20 0.34
KCNJ8 Q15842 5/20 0.34
PDK1 Q15118 3/20 0.34
PDK2 Q15119 3/20 0.34
PDK3 Q15120 3/20 0.34
PDK4 Q16654 3/20 0.34
ABCB11 O95342 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
VNN1 O95497 1/20 0.32
SRC P12931 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL2831447 1.00 TSHR (0.44) TSHRALDH1A1HSD17B10TDP1ELANE
SCHEMBL352640 0.95 ALDH1A1 (0.49) TSHRALDH1A1HSD17B10TDP1ELANE
SCHEMBL10390140 0.91 ALDH1A1 (0.46) TSHRALDH1A1HSD17B10TDP1ELANE
SCHEMBL2900801 0.82 ALDH1A1 (0.37) TSHRALDH1A1HSD17B10TDP1ELANE
SCHEMBL10388638 0.78 CYP1A2 (0.32) TSHRALDH1A1HSD17B10TDP1ELANE
SCHEMBL2404185 0.71 ALDH1A1 (0.45) TSHRALDH1A1TDP1GAAHPGD
SCHEMBL8370734 0.71 ALDH1A1 (0.38) TSHRALDH1A1HSD17B10TDP1ELANE
Hydrochloric Acid SCHEMBL7192938 0.70 ALDH1A1 (0.43) TSHRALDH1A1TDP1GAAHPGD
SCHEMBL2164754 0.67 ALDH1A1 (0.41) TSHRALDH1A1HSD17B10TDP1ELANE
Benzophenone SCHEMBL10622042 0.66 TDP1 (0.89) TSHRALDH1A1HSD17B10TDP1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247139-B2 Volume holographic data recording media DAIKIN INDUSTRIES, LTD. (JP) 2012-08-21 US disclosed
US-8192898-B2 Composition for fluorine-containing volume holographic data recording material and fluorine-containing volume holographic data recording media made of same DAIKIN INDUSTRIES, LTD. (JP) 2012-06-05 US disclosed
US-20100119957-A1 VOLUME HOLOGRAPHIC DATA RECORDING MEDIA DAIKIN INDUSTRIES , LTD. (JP) 2010-05-13 US disclosed
US-20100112460-A1 COMPOSITION FOR FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MATERIAL AND FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MEDIA MADE OF SAME UMEDA CENTER BUILDING (JP) 2010-05-06 US disclosed
WO-2008123612-A2 VOLUME HOLOGRAPHIC DATA RECORDING MEDIA DAIKIN INDUSTRIES, LTD. (JP) 2008-10-16 WO disclosed