SCHEMBL11536909

SCHEMBL11536909

O=C(O)C(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL10421655 0.97 THRB (0.59) THRBCA1CA2MMP1MMP2
SCHEMBL7647628 0.97 THRB (0.59) THRBCA1CA2MMP1MMP2
SCHEMBL11538524 0.97 THRB (0.57) THRBCA1CA2MMP1MMP2
SCHEMBL5915219 0.94 THRB (0.62) THRBCA1CA2MMP1MMP2
SCHEMBL8417596 0.94 THRB (0.62) THRBCA1CA2MMP1MMP2
SCHEMBL28446928 0.94 THRB (0.62) THRBCA1CA2MMP1MMP2
SCHEMBL8076744 0.94 THRB (0.62) THRBCA1CA2MMP1MMP2
SCHEMBL8671924 0.94 THRB (0.62) THRBCA1CA2MMP1MMP2
SCHEMBL826186 0.88 THRB (0.55) THRBCA1CA2MMP1MMP2
SCHEMBL7652790 0.86 THRB (0.59) THRBCA1CA2MMP1MMP2

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-4172016-A Method for manufacture of perfluorotetrahydrofuran derivatives AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1979-10-23 US disclosed