SCHEMBL9999623

SCHEMBL9999623

CC(c1ccc(OCc2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)cc1)(c1ccc(OCc2cc(OCc3cc(OCc4ccc(S(=O)(=O)O)cc4)cc(OCc4ccc(S(=O)(=O)O)cc4)c3)cc(OCc3cc(OCc4ccc(S(=O)(=O)O)cc4)cc(OCc4ccc(S(=O)(=O)O)cc4)c3)c2)cc1)c1ccc(OCc2cc(OCc3cc(OCc4ccc(S(=O)(=O)O)cc4)cc(OCc4ccc(S(=O)(=O)O)cc4)c3)cc(OCc3cc(OCc4ccc(S(=O)(=O)O)cc4)cc(OCc4ccc(S(=O)(=O)O)cc4)c3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.52
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
CA4 P22748 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FFAR1 O14842 2/20 0.46
PGR P06401 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR4A2 P43354 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 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
SCHEMBL9999630 0.96 AR (0.57) ARCA12CA1CA2CA9
SCHEMBL14546150 0.95 PTPRZ1 (0.47) ARCA12CA1CA2CA9
SCHEMBL12153243 0.84 PTPRZ1 (0.38) ARCA12CA1CA2CA9
SCHEMBL9999621 0.83 FFAR4 (0.46) ARCA12CA1CA2CA9
SCHEMBL9999620 0.83 CA12 (0.51) ARCA12CA1CA2CA9
SCHEMBL1424430 0.82 CA12 (0.70) ARCA12CA1CA2CA9
SCHEMBL12153259 0.81 AR (0.41) ARNR4A2RXRARXRBMEN1
Hydrochloric Acid SCHEMBL28119647 0.80 CA12 (0.68) ARCA12CA1CA2CA9
SCHEMBL3280133 0.80 CA12 (0.68) ARCA12CA1CA2CA9
SCHEMBL16016779 0.79 LMNA (0.60) RAB9ASMN1; SMN2NR4A2RXRARXRB

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