SCHEMBL8934666

SCHEMBL8934666

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
CES1 P23141 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KCNN4 O15554 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 2/20 0.31
MAPT P10636 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
CES2 O00748 1/20 0.30
LMNA P02545 1/20 0.30
XBP1 P17861 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALPL P05186 1/20 0.30
GLA P06280 1/20 0.30
ALPI P09923 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
SCHEMBL8934668 0.92 MAPK1 (0.52) MAPK1ALDH1A1ALOX15CES1MEN1
SCHEMBL8934708 0.86 TDP1 (0.42) ALDH1A1CES1MEN1KMT2ATDP1
SCHEMBL8934698 0.82 ATM (0.33) ALDH1A1CES1MEN1KMT2ATDP1
SCHEMBL8934712 0.77 ALDH1A1 (0.46) MAPK1ALDH1A1ALOX15CES1MEN1
SCHEMBL8934680 0.73 TSHR (0.38) ALDH1A1CES1MEN1KMT2ATDP1
SCHEMBL8934750 0.73 ATM (0.36) MAPK1ALDH1A1MEN1KMT2ATDP1
SCHEMBL7685214 0.72 MAPK1 (0.46) MAPK1ALDH1A1ALOX15CES1MEN1
SCHEMBL7685218 0.72 MAPK1 (0.46) MAPK1ALDH1A1ALOX15CES1MEN1
SCHEMBL8934746 0.71 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATDP1TSHR
Hydrogen Peroxide SCHEMBL22163808 0.70 MAPK1 (0.94) MAPK1ALDH1A1ALOX15CES1KMT2A

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