SCHEMBL1897089

SCHEMBL1897089

C=COC(=O)c1ccccc1C(C)OC(C)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
TSHR P16473 5/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRA1A P35348 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
SCHEMBL1897704 0.86 CYP3A4 (0.39) ALDH1A1TSHRCYP3A4HSD17B10KDM4E
SCHEMBL1897724 0.83 TSHR (0.40) ALDH1A1TSHRCYP3A4HSD17B10KDM4E
SCHEMBL1895796 0.81 TSHR (0.37) ALDH1A1TSHRCYP3A4HSD17B10KDM4E
SCHEMBL1901755 0.81 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4HSD17B10KDM4E
SCHEMBL1899632 0.80 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4HSD17B10KDM4E
SCHEMBL1899087 0.79 TSHR (0.34) ALDH1A1TSHRCYP3A4HSD17B10SCN1A
SCHEMBL1899419 0.78 TSHR (0.34) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL1897667 0.77 TSHR (0.39) ALDH1A1TSHRCYP3A4HSD17B10CASP1
Alcohol SCHEMBL1567009 0.74 TSHR (0.52) ALDH1A1TSHRCYP3A4HSD17B10KDM4E
SCHEMBL1903570 0.73 LMNA (0.38) ALDH1A1HSD17B10KDM4ELMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110101503-A1 HYPERBRANCHED POLYMER SYNTHESIZING METHOD, HYPERBRANCHED POLYMER, RESIST COMPOSITION, SEMICONDUCTOR INTEGRATED CIRCUIT, AND SEMICONDUCTOR INTEGRATED CIRCUIT FABRICATION METHOD LION CORPORATION (JP) 2011-05-05 US disclosed