SCHEMBL29512349

SCHEMBL29512349

C=C(C)C(=O)OCCOc1ccc2ccoc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA9 Q16790 4/20 0.40
CA2 P00918 2/20 0.40
CA6 P23280 2/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
APP P05067 1/20 0.40
CA5A P35218 1/20 0.40
KCNA3 P22001 1/20 0.40
KCNA5 P22460 1/20 0.40
HDAC3 O15379 1/20 0.38

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
SCHEMBL15303149 0.85 TDP1 (0.56) POLBAPEX1HTTTDP1THRB
SCHEMBL7914315 0.84 CA12 (0.61) POLBTDP1CA12CA1CA9
SCHEMBL17081959 0.82 TDP1 (0.54) POLBAPEX1HTTTDP1HDAC1
SCHEMBL13118682 0.82 TDP1 (0.54) POLBAPEX1HTTTDP1THRB
SCHEMBL75204 0.81 KDM4E (0.47) MRGPRX4POLBTDP1CA12CA9
SCHEMBL2033345 0.80 KDM4E (0.54) POLBAPEX1HTTTDP1HDAC3
SCHEMBL29791122 0.80 KDM4E (0.54) POLBAPEX1HTTTDP1HDAC3
Ether SCHEMBL7917978 0.79 CA9 (0.58) POLBTDP1CA12CA1CA9
SCHEMBL454606 0.79 POLB (0.67) POLBAPEX1HTTTDP1THRB
SCHEMBL11963922 0.79 TDP1 (0.50) POLBAPEX1HTTTDP1THRB

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
WO-2022095792-A1 ULTRAVIOLET-CURABLE COMPOSITION ADHESIVE AND USING METHOD THEREFOR AND APPLICATION THEREOF 西安思摩威新材料有限公司 2022-05-12 WO disclosed