SCHEMBL2900801

SCHEMBL2900801

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ELANE P08246 7/20 0.37
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
PPARD Q03181 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABCC9 O60706 2/20 0.33
ABCC8 Q09428 2/20 0.33
KCNJ11 Q14654 2/20 0.33
PDK1 Q15118 2/20 0.33
PDK2 Q15119 2/20 0.33
PDK3 Q15120 2/20 0.33
KCNJ8 Q15842 2/20 0.33

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
SCHEMBL352640 0.86 ALDH1A1 (0.49) ALDH1A1TSHRHSD17B10TDP1ELANE
SCHEMBL10390140 0.83 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10TDP1ELANE
SCHEMBL2831676 0.82 TSHR (0.44) ALDH1A1TSHRHSD17B10TDP1ELANE
SCHEMBL2831447 0.82 TSHR (0.44) ALDH1A1TSHRHSD17B10TDP1ELANE
SCHEMBL8370734 0.77 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10TDP1ELANE
Hydrochloric Acid SCHEMBL7192938 0.75 ALDH1A1 (0.43) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL10388638 0.75 CYP1A2 (0.32) ALDH1A1TSHRHSD17B10TDP1ELANE
SCHEMBL2164754 0.70 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10TDP1ELANE
SCHEMBL10435112 0.68 ALDH1A1 (0.46) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL8624753 0.68 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10TDP1ELANE

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
JP-1210985-A None JP disclosed
CN-115128904-A Photosensitive composition and film formed therefrom 财团法人工业技术研究院 2022-09-30 CN disclosed
US-20100285319-A1 METHOD FOR FABRICATION OF TRANSPARENT GAS BARRIER FILM USING PLASMA SURFACE TREATMENT AND TRANSPARENT GAS BARRIER FILM FABRICATED THEREBY KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-11-11 US disclosed
WO-2009088214-A2 METHOD FOR FABRICATION OF TRANSPARENT GAS BARRIER FILM USING PLASMA SURFACE TREATMENT AND TRANSPARENT GAS BARRIER FILM FABRICATED THEREBY KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-07-16 WO disclosed
JP-H01210985-A HOLOGRAPHIC RECORDING MATERIAL FUJITSU LTD 1989-08-24 JP disclosed