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SCHEMBL9999620

SCHEMBL9999620

O=S(=O)(O)c1ccc(COc2cc(COc3cc(COc4ccc(C(c5ccc(OCc6cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)c6)cc5)c5ccc(OCc6cc(OCc7cc(OCc8ccc(S(=O)(=O)O)cc8)cc(OCc8ccc(S(=O)(=O)O)cc8)c7)cc(OCc7cc(OCc8ccc(S(=O)(=O)O)cc8)cc(OCc8ccc(S(=O)(=O)O)cc8)c7)c6)cc5)cc4)cc(OCc4cc(OCc5ccc(S(=O)(=O)O)cc5)cc(OCc5ccc(S(=O)(=O)O)cc5)c4)c3)cc(OCc3ccc(S(=O)(=O)O)cc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ CA4 P22748 1/20 0.51
▸ CA5A P35218 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA5B Q9Y2D0 1/20 0.51
▸ AR P10275 7/20 0.47
▸ IDH1 O75874 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45

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
SCHEMBL10015821 0.95 PTPRZ1 (0.46) CA12CA1CA2CA9CA4
SCHEMBL9999627 0.85 LMNA (0.55) IDH1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL1424430 0.84 CA12 (0.70) CA12CA1CA2CA9CA4
SCHEMBL12120865 0.83 PTPRZ1 (0.36) CA12CA1CA2CA9CA4
SCHEMBL9999623 0.83 AR (0.52) CA12CA1CA2CA9CA4
Hydrochloric Acid SCHEMBL28119647 0.82 CA12 (0.68) CA12CA1CA2CA9CA4
SCHEMBL3280133 0.82 CA12 (0.68) CA12CA1CA2CA9CA4
SCHEMBL10013593 0.81 NPC1 (0.49) TDP1MEN1KMT2AALDH1A1FFAR1
SCHEMBL9999630 0.79 AR (0.57) CA12CA1CA2CA9CA4
SCHEMBL12120906 0.79 AR (0.39) ARIDH1MEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119833-B2 Dendrimer solid acid and polymer electrolyte membrane including the same SAMSUNG SDI CO., LTD. (KR) 2012-02-21 — — US disclosed
US-20110262833-A1 DENDRIMER SOLID ACID AND POLYMER ELECTROLYTE MEMBRANE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2011-10-27 — — US disclosed