SCHEMBL27699375

SCHEMBL27699375

O=COC(Br)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.46
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
MDM2 Q00987 1/20 0.40
CYP3A4 P08684 1/20 0.40
F2 P00734 1/20 0.39
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
ATM Q13315 2/20 0.38
ALKBH5 Q6P6C2 1/20 0.37
PGR P06401 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL10335816 0.80 TDP1 (0.47) TDP1L3MBTL1TSHRTP53CES2
SCHEMBL2719579 0.77 MAPT (0.45) TDP1L3MBTL1TSHRTP53CES2
SCHEMBL316378 0.76 TSHR (0.48) TDP1L3MBTL1TSHRTP53CES2
SCHEMBL9248607 0.76 ALDH1A1 (0.59) TDP1L3MBTL1TSHRTP53CES2
SCHEMBL8955004 0.74 TDP1 (0.45) TDP1L3MBTL1TSHRTP53CES2
SCHEMBL3924257 0.74 TSHR (0.62) TDP1L3MBTL1TSHRTP53CES2
SCHEMBL9840012 0.73 ALDH1A1 (0.61) TDP1L3MBTL1TSHRTP53CES2
SCHEMBL9746044 0.73 TDP1 (0.44) TDP1L3MBTL1TSHRTP53CES2
SCHEMBL11442931 0.73 PGR (0.44) TDP1L3MBTL1TSHRTP53CES2
SCHEMBL28118186 0.73 LMNA (0.45) TDP1L3MBTL1TSHRTP53CES2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101161790-B Method for gaining high conversion rate by catalytic hydrogenation of vacuum residue over-critical extraction slag with zeolite molecular sieve XUZHOU COLLEGE IND TECHNOLOGY 2011-07-20 CN disclosed
CN-101186843-A Catalyzed hydrogenation conversion method for decompression slag oil supercritical extraction residue by employing active carbon XUZHOU INDUSTRY VOCATIONAL TEC (CN) 2008-05-28 CN disclosed
CN-101161790-A Method for gaining high conversion rate by catalytic hydrogenation of vacuum residue over-critical extraction slag with zeolite molecular sieve XUZHOU INDUSTRY VOCATIONAL TEC (CN) 2008-04-16 CN disclosed