SCHEMBL1897667

SCHEMBL1897667

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 6/20 0.35
HSD17B10 Q99714 2/20 0.35
FFAR1 O14842 1/20 0.34
CA2 P00918 1/20 0.33
HCRTR1 O43613 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CASP1 P29466 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL1897724 0.84 TSHR (0.40) TSHRCYP3A4ALDH1A1HSD17B10HCRTR1
SCHEMBL22832551 0.79 POLB (0.43) TSHRALDH1A1HSD17B10FFAR1TDP1
SCHEMBL1901755 0.77 ALDH1A1 (0.43) TSHRCYP3A4ALDH1A1HSD17B10CA2
SCHEMBL1897089 0.77 ALDH1A1 (0.36) TSHRCYP3A4ALDH1A1HSD17B10CA2
Alcohol SCHEMBL1567009 0.75 TSHR (0.52) TSHRCYP3A4ALDH1A1HSD17B10CA2
SCHEMBL1899632 0.75 ALDH1A1 (0.46) TSHRCYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL2146857 0.74 TSHR (0.72) TSHRCYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL1895796 0.74 TSHR (0.37) TSHRCYP3A4ALDH1A1HSD17B10KMT2A
SCHEMBL15175 0.73 CYP3A4 (0.55) TSHRCYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL1899943 0.72 CYP3A4 (0.36) TSHRCYP3A4ALDH1A1HSD17B10TDP1

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