SCHEMBL8744223

SCHEMBL8744223

C=C(C(=O)OCC)C(C)(C)C.[SnH4]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.41
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GLO1 Q04760 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
TRPA1 O75762 1/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL1896769 0.98 ALDH1A1 (0.48) ALDH1A1TSHRTHRBMAPTNPSR1
SCHEMBL27438786 0.84 TSHR (0.42) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL28791986 0.82 TSHR (0.44) ALDH1A1TSHRTHRBATM
SCHEMBL9746132 0.82 ALDH1A1 (0.47) ALDH1A1TSHRTHRBMAPTNPSR1
SCHEMBL8582053 0.82 ALDH1A1 (0.47) ALDH1A1TSHRTHRBMAPTNPSR1
SCHEMBL9746477 0.82 ALDH1A1 (0.52) ALDH1A1TSHRTHRBMAPTNPSR1
SCHEMBL27789803 0.81 THRB (0.41) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL9746066 0.81 TSHR (0.53) ALDH1A1TSHRTHRBNPSR1LMNA
SCHEMBL28185686 0.80 TSHR (0.52) ALDH1A1TSHRTHRBNPSR1
SCHEMBL9747120 0.80 ALDH1A1 (0.45) ALDH1A1TSHRTHRBMAPTNPSR1

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
US-5625050-A Modified oligonucleotides and intermediates useful in nucleic acid therapeutics AMGEN INC. (US) 1997-04-29 US disclosed
EP-0753002-A1 MODIFIED OLIGONUCLEOTIDES AND INTERMEDIATES USEFUL IN NUCLEIC ACID THERAPEUTICS AMGEN INC. (US) 1997-01-15 EP disclosed
WO-1995026972-A1 MODIFIED OLIGONUCLEOTIDES AND INTERMEDIATES USEFUL IN NUCLEIC ACID THERAPEUTICS AMGEN INC. (US) 1995-10-12 WO disclosed