SCHEMBL23750586

SCHEMBL23750586

O=Nc1cc(C(=O)Oc2cc(C(=O)Oc3cc(C(=O)O)cc(O)c3O)cc(O)c2O)cc(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.77
▸ POLA1 P09884 1/20 0.77
▸ ANTXR2 P58335 1/20 0.77
▸ SERPINE1 P05121 6/20 0.51
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA6 P23280 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ FUT7 Q11130 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ CA12 O43570 2/20 0.50
▸ CA3 P07451 2/20 0.50
▸ CA4 P22748 2/20 0.50
▸ CA5A P35218 2/20 0.50
▸ CA7 P43166 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CA14 Q9ULX7 2/20 0.50
▸ CA5B Q9Y2D0 2/20 0.50
▸ MAPK1 P28482 2/20 0.50

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
SCHEMBL21584376 0.95 POLB (0.73) POLBPOLA1ANTXR2SERPINE1CA1
SCHEMBL23750545 0.92 POLB (0.72) POLBPOLA1ANTXR2SERPINE1CA1
SCHEMBL23750544 0.92 POLB (0.72) POLBPOLA1ANTXR2SERPINE1CA1
SCHEMBL21584579 0.87 POLB (1.00) POLBPOLA1ANTXR2SERPINE1CA1
SCHEMBL21584430 0.87 POLB (1.00) POLBPOLA1ANTXR2SERPINE1CA1
SCHEMBL21584439 0.87 POLB (1.00) POLBPOLA1ANTXR2SERPINE1CA1
SCHEMBL23750585 0.87 POLB (1.00) POLBPOLA1ANTXR2SERPINE1CA1
SCHEMBL21584424 0.87 POLB (1.00) POLBPOLA1ANTXR2SERPINE1CA1
Digallic Acid SCHEMBL29836990 0.87 POLB (1.00) POLBPOLA1ANTXR2SERPINE1CA1
SCHEMBL29620339 0.87 POLB (1.00) POLBPOLA1ANTXR2SERPINE1CA1

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-2021155864-A1 COMPOUNDS AND PHARMACEUTICAL USES THEREOF SYNEURX INTERNATIONAL (TAIWAN) CORP. (CN) 2021-08-12 — — WO disclosed
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