SCHEMBL28008796

SCHEMBL28008796

COc1cc(O)c(Br)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.56
ALDH1A1 P00352 2/20 0.46
TRIM24 O15164 1/20 0.44
TYR P14679 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
ALOX5 P09917 2/20 0.43
PTGS2 P35354 2/20 0.43
ABL1 P00519 2/20 0.43
ABCB1 P08183 2/20 0.43
BCR P11274 2/20 0.43
CA2 P00918 2/20 0.43
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
CYP1A2 P05177 1/20 0.43
CA4 P22748 1/20 0.43
MAPK1 P28482 3/20 0.42
ERN1 O75460 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.41

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
SCHEMBL27298729 0.82 CYP3A4 (0.58) CYP3A4ALDH1A1PTGS2ABL1ABCB1
SCHEMBL11403757 0.82 ALDH1A1 (0.59) CYP3A4ALDH1A1CA2CYP1A1CYP1B1
SCHEMBL14511772 0.79 TPMT (0.58) CYP3A4ALDH1A1ALOX5PTGS2ABL1
SCHEMBL21614372 0.77 CYP3A4 (0.52) CYP3A4ALDH1A1TRIM24TYRTRIM33
SCHEMBL1119249 0.77 ALOX5 (0.54) CYP3A4ALDH1A1ALOX5PTGS2ABL1
SCHEMBL29048895 0.76 ERN1 (0.58) CYP3A4ALDH1A1TRIM24TYRTRIM33
SCHEMBL154623 0.74 NPC1 (0.53) CYP3A4ALDH1A1TRIM24TYRTRIM33
SCHEMBL4335208 0.74 GAA (0.56) CYP3A4ALDH1A1PTGS2CA2CYP1A2
SCHEMBL4462618 0.74 CYP3A4 (0.48) CYP3A4ALDH1A1ALOX5PTGS2ABL1
SCHEMBL67338 0.74 CYP3A4 (0.67) CYP3A4ALDH1A1TRIM24TYRTRIM33

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-103193606-B Synthesis method of brominated phenolic compound HARBIN INST OF TECHNOLOGY 2015-04-08 CN disclosed