SCHEMBL19624349

SCHEMBL19624349

C=C(C)C(=O)OCCCc1cc(-c2ccc(C)cc2)ccc1CN=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.36
THRB P10828 1/20 0.34
FFAR4 Q5NUL3 1/20 0.31
CTDSP1 Q9GZU7 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
SCHEMBL19804107 0.87 CA1 (0.39) CA1CA2POLBAPEX1HTT
SCHEMBL19804117 0.86 CA1 (0.41) CA1CA2POLBAPEX1HTT
SCHEMBL19624346 0.81 CA1 (0.41) CA1CA2POLBAPEX1HTT
SCHEMBL19804196 0.80 CA1 (0.41) CA1CA2POLBAPEX1HTT
SCHEMBL19804112 0.79 CA1 (0.40) CA1CA2POLBAPEX1HTT
SCHEMBL20285993 0.79 TSHR (0.38) CA1CA2POLBAPEX1HTT
SCHEMBL19804407 0.78 TDP1 (0.41) CA1CA2POLBAPEX1HTT
SCHEMBL21097767 0.77 CA1 (0.40) CA1CA2POLBAPEX1HTT
SCHEMBL19804409 0.77 TDP1 (0.41) CA1CA2POLBAPEX1HTT
SCHEMBL19804054 0.77 TDP1 (0.41) 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