SCHEMBL8941232

SCHEMBL8941232

O=C(COS(=O)(=O)c1cccc(C(F)(F)F)c1)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
AR P10275 1/20 0.47
ESR2 Q92731 1/20 0.47
HTT P42858 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.44
KAT6A Q92794 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL6115131 0.76 CA1 (0.54) NR3C1PGRARESR2HTT
SCHEMBL8941238 0.74 PPARG (0.48) NR3C1PGRARESR2HTT
SCHEMBL28462447 0.73 KMT2A (0.51) HTTKMT2AGAAMEN1LMNA
SCHEMBL27671575 0.72 SMN1; SMN2 (0.56) KMT2AGAAMEN1PPARGPPARA
SCHEMBL31425773 0.71 CA1 (0.59) NR3C1PGRARESR2HTT
SCHEMBL28122445 0.71 FFAR4 (0.56) HTTKMT2AMEN1PPARGPPARA
SCHEMBL5400963 0.71 CA1 (0.51) NR3C1PGRARESR2HTT
SCHEMBL15453720 0.71 NR3C1 (0.53) NR3C1PGRARESR2HTT
SCHEMBL11351246 0.70 CA1 (0.48) NR3C1PGRARESR2HTT
SCHEMBL15765735 0.70 KDM4E (0.57) KMT2AGAAMEN1PPARGPPARA

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
WO-1996019444-A1 SULFONATE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO disclosed
US-5510379-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-04-23 US disclosed