SCHEMBL4562564

SCHEMBL4562564

C=C(C)C(=O)OCC(C)(CO)COC(=O)C(=C)C.CC(CO)(CO)CO

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 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
SCHEMBL1494601 0.98 TSHR (0.45) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL65529 0.94 TSHR (0.45) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL4925781 0.92 TSHR (0.41) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL18393958 0.91 THRB (0.42) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL9566721 0.89 THRB (0.43) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL5959040 0.88 THRB (0.40) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL51592 0.87 TSHR (0.50) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL9013033 0.86 ALDH1A1 (0.51) TSHRTHRBALDH1A1HSD17B10TP53
SCHEMBL2763614 0.85 LMNA (0.49) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL10611903 0.85 ALDH1A1 (0.50) TSHRTHRBALDH1A1HSD17B10TP53

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-1802662-A4 SURFACE POLYMERISATION PROCESS AND POLYMER PRODUCT USING RAFT AGENT UNIV SYDNEY (AU) 2009-08-26 EP disclosed
EP-1802662-A1 SURFACE POLYMERISATION PROCESS AND POLYMER PRODUCT USING RAFT AGENT The University of Sydney (AU) 2007-07-04 EP disclosed
WO-2006037161-A1 SURFACE POLYMERISATION PROCESS AND POLYMER PRODUCT USING RAFT AGENT THE UNIVERSITY OF SYDNEY (AU) 2006-04-13 WO disclosed