SCHEMBL7589040

SCHEMBL7589040

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL3297010 1.00 THRB (0.42) THRBCA2CA1MMP1MMP2
SCHEMBL28360471 0.97 THRB (0.39) THRBCA2CA1MMP1MMP2
SCHEMBL31253489 0.90 THRB (0.35) THRB
SCHEMBL718350 0.82 THRB (0.44) THRBCA2CA1MMP1MMP2
SCHEMBL717932 0.82 THRB (0.44) THRBCA2CA1MMP1MMP2
SCHEMBL4401769 0.79 THRB (0.38) THRB
SCHEMBL7712281 0.79 THRB (0.38) THRB
SCHEMBL4400459 0.79 THRB (0.38) THRB
SCHEMBL4390006 0.79 THRB (0.38) THRB
SCHEMBL29267902 0.79 THRB (0.40) THRBCA2CA1MMP1MMP2

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
EP-0889718-B1 KERATIN FIBRE DYE COMPOSITIONS CONTAINING PYRROLO-AZOLE COMPOUNDS, USE THEREOF AS COUPLERS, AND DYEING METHOD OREAL (FR) 2002-09-18 EP disclosed