SCHEMBL28181569

SCHEMBL28181569

C=C(C)C(=O)OCCOC(=O)C1(CCCCCCCC)CCCCC1C(=O)OCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
AKT1 P31749 10/20 0.37
THRB P10828 1/20 0.34
HTT P42858 2/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CES2 O00748 1/20 0.32
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28217615 0.83 CYP4F2 (0.41) AKT1HTTGAAMAPK1SMN1; SMN2
SCHEMBL5447282 0.77 TSHR (0.41) TSHRTHRBHTTPOLBAPEX1
SCHEMBL21381488 0.75 THRB (0.37) TSHRTHRBTDP1MAPK1
SCHEMBL11225142 0.74 NAAA (0.38) TSHRHTTCES2GAAMAPK1
SCHEMBL11225149 0.74 NAAA (0.38) TSHRHTTCES2GAAMAPK1
SCHEMBL11229711 0.74 NAAA (0.38) TSHRHTTCES2GAAMAPK1
SCHEMBL5443893 0.73 TSHR (0.39) TSHRTHRBHTTPOLBAPEX1
Cyclohexane SCHEMBL8106220 0.72 TSHR (0.89) TSHRTHRBHTTPOLBAPEX1
SCHEMBL2475630 0.72 TSHR (0.96) TSHRTHRBHTTPOLBAPEX1
SCHEMBL11775454 0.71 TSHR (1.00) TSHRTHRBHTTPOLBAPEX1

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
CN-107272343-A Chemical amplification type positive photosensitive polymer combination 东京应化工业株式会社 2017-10-20 CN disclosed