SCHEMBL11538522

SCHEMBL11538522

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
LMNA P02545 1/20 0.32
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL11536932 0.97 THRB (0.48) THRBCA1CA2MMP1MMP2
SCHEMBL11536906 0.97 THRB (0.42) THRBCA1CA2MMP1MMP2
SCHEMBL6915697 0.94 THRB (0.46) THRBCA1CA2MMP1MMP2
SCHEMBL11542038 0.91 THRB (0.42) THRBCA1CA2MMP1MMP2
SCHEMBL28234072 0.90 THRB (0.39) THRB
SCHEMBL15016766 0.81 THRB (0.38) THRB
SCHEMBL1608943 0.76 THRB (0.30) THRB
SCHEMBL425501 0.75 THRB (0.57) THRBCA1CA2MMP1MMP2
SCHEMBL11736585 0.75 THRB (0.43) THRBCA1CA2MMP1MMP2
SCHEMBL11538524 0.75 THRB (0.57) 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