SCHEMBL19624607

SCHEMBL19624607

C=C(C)C(=O)OCCOc1cc(-c2ccc(-c3ccc(C)cc3F)cc2F)ccc1OCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40
CTSA P10619 2/20 0.38
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA2 P54646 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
THRB P10828 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL19804540 0.90 FEN1 (0.47) ALOX5APFEN1CTSABCL9CTNNB1
SCHEMBL19803974 0.89 CTSA (0.41) ALOX5APFEN1CTSABCL9CTNNB1
SCHEMBL19803967 0.89 CTSA (0.38) ALOX5APFEN1CTSABCL9CTNNB1
SCHEMBL19804410 0.89 ALOX5AP (0.43) ALOX5APFEN1BCL9CTNNB1PRKAB2
SCHEMBL19624631 0.88 ALOX5AP (0.41) ALOX5APFEN1CTSAFFAR4CA1
SCHEMBL19624593 0.88 CTSA (0.36) ALOX5APFEN1CTSATHRBFFAR4
SCHEMBL19804222 0.87 CTSA (0.35) ALOX5APFEN1CTSAPRKAB2PRKAG1
SCHEMBL19804132 0.87 PPARD (0.38) ALOX5APFEN1CTSABCL9CTNNB1
SCHEMBL19803964 0.85 CTSA (0.38) ALOX5APFEN1CTSABCL9CTNNB1
SCHEMBL19796669 0.85 ALOX5AP (0.36) ALOX5APFEN1CTSABCL9CTNNB1

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-3246305-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-11-22 EP disclosed