SCHEMBL28524099

SCHEMBL28524099

COc1cc2c(c(O)c1O)C(=O)C(O)(O)C(OC)(c1ccccc1)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.36
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
BACE1 P56817 1/20 0.35
KDM4E B2RXH2 4/20 0.34
GAA P10253 3/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
MAPT P10636 4/20 0.34
POLB P06746 2/20 0.34
APEX1 P27695 2/20 0.34
PABPC1 P11940 1/20 0.34
RECQL P46063 1/20 0.34
EIF4H Q15056 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIRT1 Q96EB6 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33

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
SCHEMBL725961 0.81 MEN1 (0.31) KDM4EGAAKMT2AMEN1MAPT
SCHEMBL726440 0.78 CA1 (0.35) KDM4EKMT2AMEN1MAPTAPEX1
SCHEMBL27680435 0.72 MAPT (0.38) KDM4EGAAKMT2AMEN1MAPT
SCHEMBL27660446 0.71 MAPT (0.43) BACE1KDM4EGAAKMT2AMEN1
SCHEMBL27796598 0.69 ABCG2 (0.47) ABCB1ABCG2BACE1KDM4EGAA
SCHEMBL7739870 0.69 EDNRB (0.41) ABCB1ABCG2BACE1KDM4EGAA
SCHEMBL27441448 0.68 PLK1 (0.40) ABCB1ABCG2KDM4EKMT2AMEN1
SCHEMBL27660494 0.68 KDM4E (0.40) BACE1KDM4EKMT2AMEN1MAPT
SCHEMBL27567584 0.68 MAPT (0.40) STK17BABCB1ABCG2BACE1KDM4E
SCHEMBL8577398 0.67 GAA (0.38) ABCB1ABCG2BACE1KDM4EGAA

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-112209911-A Flavonoid component in Iris tenuifolia and its antioxidant activity 中国药科大学 2021-01-12 CN disclosed