SCHEMBL31099298

SCHEMBL31099298

C=C(C)C(=O)OCCOc1ccc(CC(C)c2ccc(OC(=O)C(=C)C)c(OCC)c2OCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACACB O00763 16/20 0.41
THRB P10828 1/20 0.36

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
SCHEMBL15124043 1.00 POLB (0.41) POLBAPEX1HTTTDP1ACACB
SCHEMBL28554530 0.82 POLB (0.43) POLBAPEX1HTTTDP1ACACB
SCHEMBL29817538 0.80 ALDH1A1 (0.31) ACACB
SCHEMBL534176 0.80 ALDH1A1 (0.31) ACACB
SCHEMBL31040362 0.78 TDP1 (0.51) POLBAPEX1HTTTDP1ACACB
SCHEMBL31152429 0.78 POLB (0.42) POLBAPEX1HTTTDP1ACACB
SCHEMBL346943 0.78 POLB (0.42) POLBAPEX1HTTTDP1ACACB
SCHEMBL6561399 0.77 POLB (0.52) POLBAPEX1HTTTDP1ACACB
SCHEMBL7084293 0.74 ALDH1A1 (0.34) HTTTDP1
SCHEMBL454606 0.74 POLB (0.67) 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
CN-118576501-A Grinding blank for dental cutting processing 株式会社松风 2024-09-03 CN disclosed