SCHEMBL11820784

SCHEMBL11820784

O=C(O)c1cc(OC(F)(F)F)cc([S+]([O-])Cc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 1/20 0.41
▸ PTPRZ1 P23471 1/20 0.40
▸ TRPM8 Q7Z2W7 11/20 0.38
▸ WDR5 P61964 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ MMP2 P08253 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ AURKA O14965 1/20 0.36
▸ TPX2 Q9ULW0 1/20 0.36
▸ CXCR3 P49682 1/20 0.36

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
SCHEMBL11816991 0.86 MRGPRX4 (0.46) MEP1BTRPM8WDR5PPARAMRGPRX4
SCHEMBL11818965 0.85 PPARA (0.39) MEP1BTRPM8WDR5PPARAMRGPRX4
SCHEMBL11826737 0.80 PTPRZ1 (0.33) PTPRZ1
SCHEMBL11818392 0.79 TSHR (0.43) MEP1BPTPRZ1TRPM8WDR5PPARA
SCHEMBL11819247 0.77 MMP1 (0.41) MMP2MMP9
SCHEMBL11818108 0.77 PTPRZ1 (0.40) MEP1BPTPRZ1TRPM8WDR5PPARA
SCHEMBL24017232 0.76 AURKA (0.44) MEP1BTRPM8WDR5PPARAMRGPRX4
SCHEMBL11819044 0.73 KMT2A (0.38) MEP1BMRGPRX4MMP2MMP9
SCHEMBL22926044 0.73 AURKA (0.44) WDR5PPARAMRGPRX4AURKATPX2
SCHEMBL24017233 0.72 AURKA (0.43) MEP1BWDR5PPARAMRGPRX4AURKA

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-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 — — US disclosed
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