SCHEMBL8934708

SCHEMBL8934708

C=C(c1ccccc1)C(OC)OOC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ATM Q13315 2/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CES1 P23141 2/20 0.33
CES2 O00748 1/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ELANE P08246 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PAX8 Q06710 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL8934712 0.91 ALDH1A1 (0.46) TDP1TSHRALDH1A1HSD17B10ATM
SCHEMBL8934698 0.86 ATM (0.33) TDP1TSHRALDH1A1HSD17B10ATM
SCHEMBL8934666 0.86 MAPK1 (0.47) TDP1TSHRALDH1A1HSD17B10ATM
SCHEMBL8934746 0.84 ALDH1A1 (0.40) TDP1TSHRALDH1A1HSD17B10ATM
SCHEMBL8934680 0.77 TSHR (0.38) TDP1TSHRALDH1A1HSD17B10ATM
SCHEMBL8934668 0.77 MAPK1 (0.52) TDP1TSHRALDH1A1HSD17B10ATM
SCHEMBL8934750 0.77 ATM (0.36) TDP1TSHRALDH1A1HSD17B10ATM
SCHEMBL8934748 0.73 ELANE (0.34) TDP1TSHRALDH1A1HSD17B10ATM
SCHEMBL8934751 0.71 ALDH1A1 (0.34) TDP1TSHRALDH1A1HSD17B10ATM
SCHEMBL8934694 0.70 TSHR (0.30) TDP1TSHR

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
WO-1996030415-A1 ALKOXY ALLYL (DI)PEROXIDE CHAIN TRANSFER AGENTS AKZO NOBEL N.V. (NL) 1996-10-03 WO disclosed