SCHEMBL8780237

SCHEMBL8780237

CCCCCCCc1cc(O)cc(CCCCCCC)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.57
ALOX5 P09917 5/20 0.57
CYP3A4 P08684 3/20 0.55
TP53 P04637 2/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
TYR P14679 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL7992788 0.91 PTGS2 (0.53) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL7994866 0.91 PTGS2 (0.53) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL7995041 0.91 PTGS2 (0.53) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL7995859 0.91 PTGS2 (0.53) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL7994963 0.91 PTGS2 (0.53) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL8367626 0.83 PTGS2 (0.71) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL8588879 0.83 PTGS2 (0.71) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL4923792 0.83 PTGS2 (0.61) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL127023 0.83 PTGS2 (0.71) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL8589832 0.83 PTGS2 (0.71) PTGS2ALOX5CYP3A4TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739196-A4 IMPROVING PHENOLIC DISINFECTANT CLEANING COMPOSITIONS WITH ALKYLPOLYGLUCOSIDE SURFACTANTS HENKEL CORP (US) 1997-06-11 EP disclosed
EP-0739196-A1 IMPROVING PHENOLIC DISINFECTANT CLEANING COMPOSITIONS WITH ALKYLPOLYGLUCOSIDE SURFACTANTS HENKEL CORPORATION (US) 1996-10-30 EP disclosed
WO-1995009605-A1 IMPROVING PHENOLIC DISINFECTANT CLEANING COMPOSITIONS WITH ALKYLPOLYGLUCOSIDE SURFACTANTS HENKEL CORPORATION (US) 1995-04-13 WO disclosed