SCHEMBL14972744

SCHEMBL14972744

CCCSc1nc(N2CCCC(CC(=O)OC)C2)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.79
IDH1 O75874 7/20 0.78

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
SCHEMBL2012371 1.00 HSD11B1 (0.79) HSD11B1IDH1
SCHEMBL1968653 1.00 HSD11B1 (0.79) HSD11B1IDH1
SCHEMBL12571503 1.00 HSD11B1 (0.79) HSD11B1IDH1
SCHEMBL1967998 0.96 HSD11B1 (0.72) HSD11B1IDH1
SCHEMBL12571510 0.96 HSD11B1 (0.72) HSD11B1IDH1
SCHEMBL1968001 0.96 HSD11B1 (0.72) HSD11B1IDH1
SCHEMBL2008279 0.96 HSD11B1 (0.72) HSD11B1IDH1
SCHEMBL2010612 0.93 HSD11B1 (0.88) HSD11B1IDH1
SCHEMBL2010609 0.93 HSD11B1 (0.88) HSD11B1IDH1
SCHEMBL2048869 0.93 HSD11B1 (0.88) HSD11B1IDH1

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-2233480-B1 Chemical compounds ASTRAZENECA AB (SE) 2013-05-29 EP disclosed