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SCHEMBL6616624

SCHEMBL6616624

COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc1OC1CCCCC1.COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@@H](C)O)cc1OC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.46
▸ KCNE1 P15382 1/20 0.46
▸ KCNQ1 P51787 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ SCN5A Q14524 1/20 0.46
▸ KCND3 Q9UK17 1/20 0.46
▸ PDE4B Q07343 12/20 0.40
▸ PDE4A P27815 11/20 0.40
▸ PDE4C Q08493 11/20 0.40
▸ PDE4D Q08499 11/20 0.40

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
SCHEMBL7255783 0.96 ABCB1 (0.49) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL4875226 0.96 ABCB1 (0.49) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL4871403 0.95 ABCB1 (0.49) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL4875602 0.95 ABCB1 (0.49) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL4869186 0.95 ABCB1 (0.49) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL4869207 0.92 ABCB1 (0.46) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL4873973 0.89 ABCB1 (0.49) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL4869968 0.88 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL4872609 0.88 ABCB1 (0.52) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL4869453 0.88 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D

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
EP-1086076-B1 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2004-12-22 — — EP disclosed