SCHEMBL8680245

SCHEMBL8680245

CC1(C)C(C=C(Br)Br)C1C(=O)OCc1cccc(Oc2ccccc2)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.51
LMNA P02545 2/20 0.51
ADRA2A P08913 1/20 0.51
CNR1 P21554 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 2/20 0.35
FFAR4 Q5NUL3 1/20 0.33
SLC6A4 P31645 2/20 0.32
HSD11B1 P28845 1/20 0.32
MAPT P10636 1/20 0.32
SLC6A2 P23975 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
SCHEMBL6062731 0.91 TDP1 (0.62) TDP1LMNAADRA2ACNR1ATM
SCHEMBL9246156 0.91 TDP1 (0.62) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11556883 0.82 TDP1 (0.42) TDP1LMNAADRA2ACNR1ATM
SCHEMBL7979384 0.81 MEN1 (0.41) TDP1LMNAADRA2ACNR1ATM
SCHEMBL8624463 0.79 TDP1 (0.68) TDP1LMNAADRA2ACNR1ATM
SCHEMBL9862144 0.77 TDP1 (0.82) TDP1LMNAADRA2ACNR1ATM
SCHEMBL9558539 0.77 TDP1 (0.82) TDP1LMNAADRA2ACNR1ATM
SCHEMBL8304052 0.77 TDP1 (0.82) TDP1LMNAADRA2ACNR1ATM
SCHEMBL7751255 0.77 LMNA (0.65) TDP1LMNAADRA2ACNR1ATM
SCHEMBL9361346 0.76 TDP1 (0.56) 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-1998016487-A1 1S TO 1R EPIMERIZATIONS OF PYRETHROID INTERMEDIATES FMC CORPORATION (US) 1998-04-23 WO disclosed