SCHEMBL16063064

SCHEMBL16063064

COC1OC(COC(=O)c2ccccc2)(C(C)(C)C)C(OC(=O)c2ccccc2)C1O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 11/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SCN1A P35498 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ SCN3A Q9NY46 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL16063065 0.88 MAPK1 (0.35) ABCB1ADRB2ADRB1ADRB3MAPK1
SCHEMBL16063068 0.83 ABCB1 (0.41) ABCB1LMNAALDH1A1
SCHEMBL16063072 0.81 ABCB1 (0.40) ABCB1
SCHEMBL16063070 0.77 ALDH1A1 (0.51) ABCB1ADRB2ADRB1ADRB3MAPK1
SCHEMBL6099706 0.76 LMNA (0.42) MAPK1HIF1ALMNAALDH1A1TDP1
SCHEMBL6099711 0.76 LMNA (0.42) MAPK1HIF1ALMNAALDH1A1TDP1
SCHEMBL25398613 0.76 MAPT (0.41) ABCB1MAPK1HIF1ALMNAMAPT
SCHEMBL6099509 0.74 MAPT (0.42) ABCB1MAPK1HIF1ALMNAMAPT
SCHEMBL6099512 0.74 MAPT (0.42) ABCB1MAPK1HIF1ALMNAMAPT
SCHEMBL17359828 0.74 ABCB1 (0.40) ABCB1

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-8835615-B2 2′-fluorine-4′-substituted-nucleoside analogues, preparation methods and uses thereof HENAN GENUINE BIOTECH CO., LTD. (CN) 2014-09-16 — — US disclosed
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