SCHEMBL8934751

SCHEMBL8934751

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 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
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RIPK1 Q13546 1/20 0.31
ELANE P08246 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HPGD P15428 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
SCHEMBL8934750 0.90 ATM (0.36) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL8934746 0.87 ALDH1A1 (0.40) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL8934698 0.85 ATM (0.33) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL8934663 0.79 MAPT (0.44) ALDH1A1MAPTLMNASMN1; SMN2XBP1
SCHEMBL8934676 0.75 MAPT (0.41) ALDH1A1MAPTLMNASMN1; SMN2XBP1
SCHEMBL8934712 0.75 ALDH1A1 (0.46) ALDH1A1MAPTLMNASMN1; SMN2XBP1
SCHEMBL8934711 0.75 LMNA (0.30) LMNA
SCHEMBL8934679 0.74 MAPT (0.34) ALDH1A1MAPTLMNASMN1; SMN2XBP1
SCHEMBL8934748 0.74 ELANE (0.34) ALDH1A1MAPTCYP2D6LMNAATM
SCHEMBL8934668 0.71 MAPK1 (0.52) ALDH1A1MAPTLMNASMN1; SMN2XBP1

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