SCHEMBL8672196

SCHEMBL8672196

COc1ccc2[nH]c(C)c(CC(C)=NOCC(=O)O)c2c1Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PTPN5 P54829 1/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
AKR1C2 P52895 1/20 0.35
MET P08581 1/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
SLC2A1 P11166 1/20 0.34
PPARG P37231 1/20 0.34
TBXAS1 P24557 1/20 0.34
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 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
SCHEMBL6013487 0.87 AKR1C2 (0.46) PTGDRPTGDR2PTPN5PTGS1PTGS2
SCHEMBL8891252 0.79 HTT (0.43) PTGDRPTGDR2PTPN5PTGS1PTGS2
SCHEMBL7698626 0.78 GAA (0.49) PTGDRPTGDR2PTPN5PTGS1PTGS2
SCHEMBL7698767 0.77 AKR1C2 (0.46) PTGDRPTGDR2PTPN5AKR1C2LMNA
SCHEMBL7693001 0.77 AKR1C2 (0.49) PTGDRPTGDR2PTPN5AKR1C2SLC2A1
SCHEMBL7694013 0.77 AKR1C2 (0.46) PTGDRPTGDR2PTPN5PTGS1PTGS2
SCHEMBL7699710 0.77 AKR1C2 (0.46) PTGDRPTGDR2PTPN5PTGS1PTGS2
SCHEMBL8671632 0.76 PTGS1 (0.40) PTGDRPTGDR2PTPN5PTGS1PTGS2
SCHEMBL8642541 0.76 PTPN5 (0.37) PTGDRPTGDR2PTPN5PTGS1PTGS2
SCHEMBL8646867 0.76 PTPN5 (0.38) PTGDRPTGDR2PTPN5PTGS1PTGS2

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
US-5750558-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed