SCHEMBL9876244

SCHEMBL9876244

COC(=O)Oc1ccc2c(c1)[C@H](N(C)C1COC(=O)C1)[C@@H](O)C(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 13/20 0.41
KCNQ1 P51787 13/20 0.41
ABCB1 P08183 6/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL9876323 0.90 KCNE1 (0.42) KCNE1KCNQ1ABCB1KCNH2KDM4E
SCHEMBL9875768 0.79 KDM4E (0.58) KCNE1KCNQ1ABCB1KDM4E
SCHEMBL9443574 0.60 KCNE1 (0.40) KCNE1KCNQ1ABCB1KDM4E
SCHEMBL6935862 0.59 KCNE1 (0.74) KCNE1KCNQ1ABCB1KCNH2KDM4E
SCHEMBL6935860 0.59 KCNE1 (0.74) KCNE1KCNQ1ABCB1KCNH2KDM4E
SCHEMBL6935866 0.59 KCNE1 (0.74) KCNE1KCNQ1ABCB1KCNH2KDM4E
SCHEMBL6938873 0.59 KCNE1 (0.71) KCNE1KCNQ1ABCB1KCNH2KDM4E
SCHEMBL6938866 0.59 KCNE1 (0.71) KCNE1KCNQ1ABCB1KCNH2KDM4E
SCHEMBL6932252 0.59 KCNE1 (1.00) KCNE1KCNQ1ABCB1KCNH2KDM4E
SCHEMBL6935433 0.59 KCNE1 (1.00) KCNE1KCNQ1ABCB1KCNH2KDM4E

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
US-5071871-A Pharmaceutically useful benzo(β)pyranes and pyranopyridines SANDOZ LTD. (CH) 1991-12-10 US disclosed