SCHEMBL8941548

SCHEMBL8941548

CS(=O)(=O)c1ccc(Oc2cccc(Oc3cccc(OC(F)(F)F)c3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.50
PTGES2 Q9H7Z7 1/20 0.49
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR3C1 P04150 1/20 0.45
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
PTGS1 P23219 1/20 0.44
SDHB P21912 1/20 0.44
MMP14 P50281 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
GCK P35557 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL9779083 0.88 HTT (0.56) PTGES2HTTTDP1L3MBTL1NR3C1
SCHEMBL6925883 0.87 PTGS2 (0.60) PTGS2NR3C1MMP2MMP9MMP14
SCHEMBL8941513 0.87 HTT (0.57) PTGS2NR1H2NR1H3HTTTDP1
SCHEMBL8941664 0.84 NR3C1 (0.53) PTGS2NR1H2NR1H3HTTTDP1
SCHEMBL862985 0.82 ABL1 (0.49) PTGS2PTGES2NR1H2NR1H3CHRM2
SCHEMBL514383 0.82 PTGS2 (0.65) PTGS2MMP2MMP9PTGS1MMP14
SCHEMBL9778961 0.80 PTGES2 (0.52) PTGES2HTTTDP1L3MBTL1
SCHEMBL14586638 0.79 HTT (0.49) PTGES2HTTTDP1L3MBTL1MAPK14
SCHEMBL5670014 0.78 CETP (0.54) PTGES2MAPK14
SCHEMBL9779001 0.78 PTGES2 (0.54) PTGES2HTTTDP1L3MBTL1NR3C1

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
US-5480568-A FOR LUBRICATING METAL CONTAINING SURFACES THE DOW CHEMICAL COMPANY (US) 1996-01-02 US claimed
US-5480568-A FOR LUBRICATING METAL CONTAINING SURFACES THE DOW CHEMICAL COMPANY (US) 1996-01-02 US disclosed