SCHEMBL4733616

SCHEMBL4733616

C/C=C\C1C(C(=O)OCc2ccccc2COC)C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
LMNA P02545 2/20 0.44
ADRA2A P08913 1/20 0.44
CNR1 P21554 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDK2 Q15119 1/20 0.33
FABP7 O15540 1/20 0.33
FABP3 P05413 1/20 0.33
FABP5 Q01469 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HTT P42858 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
SCHEMBL4401734 0.85 TDP1 (0.60) TDP1LMNAADRA2ACNR1ATM
SCHEMBL3681480 0.83 TDP1 (0.57) TDP1LMNAADRA2ACNR1ATM
SCHEMBL3681483 0.83 TDP1 (0.57) TDP1LMNAADRA2ACNR1ATM
SCHEMBL21938001 0.78 TDP1 (0.47) TDP1LMNAADRA2ACNR1ATM
SCHEMBL24119147 0.78 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL1921241 0.78 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL7592007 0.78 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL134831 0.78 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL117637 0.78 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL29268645 0.78 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM

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-2008069345-A1 PEST CONTROL DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-06-12 WO disclosed