SCHEMBL28647609

SCHEMBL28647609

O=C(O)C1=CC=CC2Sc3ccccc3C(=O)C12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
HBB P68871 1/20 0.31
TTR P02766 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
SCHEMBL4096667 0.72 ALOX5 (0.37) ALOX5POLBKMT2AMAPTHTT
SCHEMBL12256708 0.65 PTPRC (0.40) POLBKMT2AMAPTALOX15HTT
SCHEMBL12957241 0.65
SCHEMBL24741704 0.63 NFKB1 (0.40)
SCHEMBL68097 0.63 PIM1 (0.39) POLBKMT2AMAPTALOX15HTT
SCHEMBL5019860 0.62 HDAC4 (0.30)
SCHEMBL13535002 0.62 HTT (0.37) POLBKMT2AMAPTALOX15HTT
SCHEMBL68089 0.62 MAPT (0.53) POLBKMT2AMAPTALOX15HTT
SCHEMBL13940537 0.62 MEN1 (0.41) POLBKMT2AMAPTALOX15HTT
SCHEMBL13579137 0.61 MEN1 (0.32) POLBKMT2AMAPT

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-113549367-A Low-migration printing material, food-grade packaging printing carton and preparation method thereof 上海美美尚隽印刷有限公司 2021-10-26 CN disclosed