SCHEMBL8934680

SCHEMBL8934680

C=C(c1ccccc1)C(OC)OO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
MAPT P10636 6/20 0.37
NPSR1 Q6W5P4 3/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
XBP1 P17861 1/20 0.37
ATM Q13315 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
PAX8 Q06710 1/20 0.36
KMT2A Q03164 3/20 0.33
CES1 P23141 2/20 0.33
MEN1 O00255 1/20 0.33
CES2 O00748 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 4/20 0.32
POLB P06746 2/20 0.32
CYP3A4 P08684 1/20 0.32
PARP1 P09874 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL8934676 0.81 MAPT (0.41) MAPTNPSR1LMNASMN1; SMN2XBP1
SCHEMBL8934708 0.77 TDP1 (0.42) TSHRMAPTNPSR1LMNASMN1; SMN2
SCHEMBL14642986 0.75 MAPT (0.44) TSHRMAPTNPSR1LMNASMN1; SMN2
SCHEMBL8934663 0.73 MAPT (0.44) TSHRMAPTNPSR1LMNASMN1; SMN2
SCHEMBL8934698 0.73 ATM (0.33) TSHRMAPTNPSR1LMNASMN1; SMN2
SCHEMBL8934666 0.73 MAPK1 (0.47) TSHRMAPTNPSR1LMNASMN1; SMN2
SCHEMBL8934712 0.69 ALDH1A1 (0.46) TSHRMAPTNPSR1LMNASMN1; SMN2
SCHEMBL693987 0.69 SMN1; SMN2 (0.50) TSHRMAPTNPSR1LMNASMN1; SMN2
SCHEMBL11798431 0.68 MAPT (0.45) TSHRMAPTNPSR1LMNASMN1; SMN2
SCHEMBL26712 0.68 TSHR (0.52) TSHRMAPTLMNAATMRAB9A

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