SCHEMBL2916167

SCHEMBL2916167

CCCCc1cc(I)cc(I)c1OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.37
PTGS2 P35354 3/20 0.35
HTR2A P28223 1/20 0.33
TYR P14679 1/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL27873246 0.83 ALOX5 (0.35) ALOX5PTGS2HTR2ACYP1A2
SCHEMBL12514803 0.81 TPMT (0.38) PTGS2HTR2AMEN1ALDH1A1TP53
SCHEMBL26036404 0.77 TYR (0.37) ALOX5TYRMEN1ALDH1A1TP53
SCHEMBL1530694 0.73 TTR (0.48) PTGS2ALDH1A1CYP3A4MAPK1
SCHEMBL28187609 0.73 ACHE (0.41) ALOX5PTGS2HTR2ATYRALDH1A1
SCHEMBL20226039 0.73 PTGS2 (0.44) ALOX5PTGS2HTR2ACYP3A4HPGD
SCHEMBL25922512 0.72 HTT (0.42) ALOX5TYRMEN1ALDH1A1TP53
SCHEMBL1599821 0.72 ALOX5 (0.59) ALOX5PTGS2TYRCYP3A4
SCHEMBL19122669 0.71 HTR2A (0.43) ALOX5PTGS2HTR2A
SCHEMBL28042367 0.71 ALOX5 (0.41) ALOX5PTGS2HTR2ACNR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed