SCHEMBL8918164

SCHEMBL8918164

O=S(=O)(Nn1ncc2ccc3cc(OC(F)(F)F)ccc3c21)c1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
NR3C1 P04150 3/20 0.41
AR P10275 2/20 0.41
PGR P06401 1/20 0.41
ESR2 Q92731 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
TSHR P16473 1/20 0.39
GSK3B P49841 1/20 0.39
RORC P51449 1/20 0.39
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
CNR2 P34972 1/20 0.38
SLC40A1 Q9NP59 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL8917188 0.90 PLAU (0.48) PPARGNR3C1ARPGRESR2
SCHEMBL8916271 0.86 CA1 (0.43) PPARGNR3C1ARCA1CA2
SCHEMBL8916161 0.86 NR3C1 (0.44) NR3C1ARPGRESR2CA1
SCHEMBL8917772 0.85 CA1 (0.43) NR3C1ARPGRESR2CA1
SCHEMBL8919219 0.85 CA1 (0.45) PPARGNR3C1ARCA1CA2
SCHEMBL8918872 0.85 KDM1A (0.45) PPARGNR3C1ARCA1CA2
SCHEMBL8916626 0.85 CA1 (0.46) PPARGNR3C1ARPGRESR2
SCHEMBL8918908 0.83 CA1 (0.41) PPARGNR3C1ARCA1CA2
SCHEMBL8918757 0.83 ALDH1A1 (0.41) PPARGNR3C1ARCA1CA2
SCHEMBL8917793 0.83 CA1 (0.43) PPARGNR3C1ARCA1CA2

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-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed