SCHEMBL8220198

SCHEMBL8220198

COC[CH]Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.44
AOC3 Q16853 1/20 0.41
AKT1 P31749 1/20 0.40
LTA4H P09960 4/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.36
KCNA3 P22001 1/20 0.36
TRPA1 O75762 1/20 0.34
MAOA P21397 1/20 0.34
PTGS1 P23219 1/20 0.34
HTR1B P28222 2/20 0.33
MAOB P27338 1/20 0.33
TTR P02766 1/20 0.33
HTR1D P28221 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
SCHEMBL2650170 0.79 AOC3 (0.52) AOC3LTA4HLMNATSHRKCNA3
SCHEMBL1412710 0.78 AOC3 (0.38) CA4AOC3LTA4HLMNATSHR
SCHEMBL98246 0.76 CA4 (0.42) CA4LTA4HLMNATSHRKCNA3
SCHEMBL100407 0.73 LTA4H (0.41) CA4LTA4HTSHRKCNA3
SCHEMBL15346287 0.72 LTA4H (0.50) LTA4HLMNATSHRKCNA3MAOA
SCHEMBL9037552 0.72 TSHR (0.54) LMNATSHRMAOAPTGS1MAOB
SCHEMBL10758570 0.71 LTA4H (0.39) CA4AOC3LTA4HLMNATSHR
SCHEMBL8134399 0.71 KCNA3 (0.44) CA4AOC3LTA4HLMNATSHR
SCHEMBL10611874 0.71 LTA4H (0.39) CA4AOC3LTA4HLMNATSHR
SCHEMBL1679226 0.71 LTA4H (0.46) CA4LTA4HLMNATSHRKCNA3

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
WO-2000042043-A1 PYRROLO[2,3-d]PYRIMIDINES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2000-07-20 WO disclosed