SCHEMBL8934679

SCHEMBL8934679

C=C(c1ccccc1)C(OCC)OOC(C)COC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HPGD P15428 2/20 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
SCHEMBL8934663 0.79 MAPT (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8934676 0.75 MAPT (0.41) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8934746 0.75 ALDH1A1 (0.40) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8934751 0.74 ALDH1A1 (0.34) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL28706068 0.70 TSHR (0.37) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL29571496 0.70 TSHR (0.37) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8934683 0.69 ALDH1A1 (0.31) MAPTALDH1A1SMN1; SMN2
SCHEMBL8934675 0.68 ITGB1 (0.31)
SCHEMBL28451759 0.65 NR1I2 (0.50) MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL926833 0.65 PGR (0.44) ALDH1A1MEN1KMT2ALMNANPC1

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