SCHEMBL882109

SCHEMBL882109

CC(C)OC(=O)C(C)OI

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HCAR2 Q8TDS4 1/20 0.34
CA12 O43570 5/20 0.31
CA1 P00915 5/20 0.31
CA2 P00918 5/20 0.31
CA9 Q16790 5/20 0.31
CA7 P43166 3/20 0.31
CA14 Q9ULX7 3/20 0.31
LMNA P02545 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADRA1A P35348 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL1931602 0.76 TSHR (0.46) TSHRHCAR2CA12CA1CA2
SCHEMBL15472457 0.76 TSHR (0.46) TSHRHCAR2CA12CA1CA2
SCHEMBL14038946 0.76 TSHR (0.46) TSHRHCAR2CA12CA1CA2
SCHEMBL10187380 0.76
SCHEMBL15472458 0.76 TSHR (0.46) TSHRHCAR2CA12CA1CA2
SCHEMBL15998220 0.74
SCHEMBL12431158 0.74 TSHR (0.65) TSHRHCAR2CA12CA1CA2
SCHEMBL17728704 0.74 TSHR (0.43) TSHRHCAR2CA12CA1CA2
SCHEMBL3892386 0.74 TSHR (0.43) TSHRHCAR2CA12CA1CA2
SCHEMBL12431160 0.74 TSHR (0.65) TSHRHCAR2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2937350-A1 1' -substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2015-10-28 EP disclosed
EP-2595980-B1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2014-09-03 EP disclosed
WO-2012039791-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 WO disclosed