SCHEMBL5854347

SCHEMBL5854347

COC(=O)C(C)=CC1C(C)(C)C1(Cc1cccc(Oc2ccccc2)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
LMNA P02545 1/20 0.43
ADRA2A P08913 1/20 0.43
CNR1 P21554 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGES O14684 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FFAR1 O14842 7/20 0.37
CCR8 P51685 2/20 0.37
EPOR P19235 1/20 0.37
ALOX5 P09917 1/20 0.36
ALOX5AP P20292 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
P2RX3 P56373 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL5854351 1.00 TDP1 (0.45) TDP1LMNAADRA2ACNR1ATM
SCHEMBL23824720 0.88 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL1527657 0.88 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL1527655 0.88 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL8856826 0.88 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL5854396 0.88 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL10829249 0.87 TDP1 (0.46) TDP1LMNAADRA2ACNR1ATM
SCHEMBL8304055 0.87 TDP1 (0.46) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11592061 0.87 TDP1 (0.46) TDP1LMNAADRA2ACNR1ATM
SCHEMBL8210825 0.86 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
US-7009079-B2 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-07 US disclosed