SCHEMBL8934676

SCHEMBL8934676

C=C(c1ccccc1)C(OO)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 3/20 0.35
ATM Q13315 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PGR P06401 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 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
SCHEMBL8934663 0.90 MAPT (0.44) MAPTALDH1A1MEN1NPC1KMT2A
SCHEMBL8934680 0.81 TSHR (0.38) MAPTALDH1A1MEN1NPC1KMT2A
SCHEMBL8934746 0.78 ALDH1A1 (0.40) MAPTALDH1A1MEN1NPC1KMT2A
SCHEMBL8934751 0.75 ALDH1A1 (0.34) MAPTALDH1A1MEN1NPC1KMT2A
SCHEMBL8934679 0.75 MAPT (0.34) MAPTALDH1A1MEN1NPC1KMT2A
SCHEMBL28451524 0.72 MAOB (0.39) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL5168028 0.71 PGR (0.52) MAPTALDH1A1MEN1NPC1KMT2A
SCHEMBL23238 0.71 PGR (0.52) MAPTALDH1A1MEN1NPC1KMT2A
SCHEMBL6067660 0.70 MAPT (0.57) MAPTALDH1A1MEN1NPC1KMT2A
SCHEMBL28451759 0.70 NR1I2 (0.50) MAPTALDH1A1SMN1; SMN2HPGDCES2

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