SCHEMBL19624591

SCHEMBL19624591

C=C(C)C(=O)OCCCc1cc(C2CCCC(C3CCC(C)CC3)CC2)ccc1CCO

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 2/20 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
SCHEMBL19804313 0.92 CA1 (0.35) CA1CA2POLBAPEX1HTT
SCHEMBL19804050 0.89 CA1 (0.37) CA1CA2POLBAPEX1HTT
SCHEMBL19803961 0.87 CA1 (0.37) CA1CA2POLBAPEX1HTT
SCHEMBL19804297 0.86 CA1 (0.35) CA1CA2POLBAPEX1HTT
SCHEMBL19804113 0.86 CA1 (0.36) CA1CA2POLBAPEX1HTT
SCHEMBL19804358 0.85 CA1 (0.35) CA1CA2POLBAPEX1HTT
SCHEMBL19804459 0.85 CA1 (0.37) CA1CA2POLBAPEX1HTT
SCHEMBL19804456 0.84 CA1 (0.34) CA1CA2POLBAPEX1HTT
SCHEMBL19796550 0.84 TSHR (0.38) CA1CA2POLBAPEX1HTT
SCHEMBL21097764 0.83 CA1 (0.33) CA1CA2POLBAPEX1HTT

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