SCHEMBL27465705

SCHEMBL27465705

O=C1C(=O)N(c2cc(Br)c(O)c(Br)c2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES1 P23141 10/20 0.60
BCHE P06276 4/20 0.60
CES2 O00748 1/20 0.60
ALDH1A1 P00352 1/20 0.60
GAA P10253 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
LCK P06239 1/20 0.45
TTR P02766 1/20 0.42
TGM2 P21980 1/20 0.41
AOC3 Q16853 2/20 0.41
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
AKR1C1 Q04828 1/20 0.39

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
SCHEMBL27465218 0.81 CES1 (0.60) CES1BCHECES2ALDH1A1GAA
SCHEMBL5352173 0.77 CES1 (0.73) CES1BCHECES2ALDH1A1GAA
SCHEMBL30951976 0.77 CES1 (0.73) CES1BCHECES2ALDH1A1GAA
SCHEMBL14830299 0.77 CES1 (0.73) CES1BCHECES2ALDH1A1GAA
Phenyl Isatin SCHEMBL916808 0.76 CES1 (1.00) CES1BCHECES2ALDH1A1GAA
Phenyl Isatin SCHEMBL1897654 0.76 CES1 (0.83) CES1BCHECES2ALDH1A1GAA
SCHEMBL21925200 0.76 CES1 (0.66) CES1BCHECES2ALDH1A1GAA
SCHEMBL31413343 0.76 CES1 (0.66) CES1BCHECES2ALDH1A1GAA
SCHEMBL18020245 0.74 CES1 (0.69) CES1BCHECES2ALDH1A1GAA
SCHEMBL27504968 0.73 CES1 (0.57) CES1BCHECES2ALDH1A1GAA

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
CN-1132216-A Copolycarbonate, copolycarbonate composition, and method for their manufacture GEN ELECTRIC (US) 1996-10-02 CN disclosed