SCHEMBL3401276

SCHEMBL3401276

CCCSc1nc(N2CCCC(C(C)(CCC)C(=O)O)C2)ccc1C(=O)NC1CCCCC1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.83
IDH1 O75874 3/20 0.59

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
SCHEMBL2006989 0.91 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL13599942 0.88 HSD11B1 (0.87) HSD11B1IDH1
SCHEMBL2007952 0.85 HSD11B1 (0.82) HSD11B1IDH1
SCHEMBL1982468 0.85 HSD11B1 (0.87) HSD11B1IDH1
SCHEMBL2011350 0.84 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL2006395 0.84 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL26851808 0.83 HSD11B1 (0.83) HSD11B1IDH1
SCHEMBL13182706 0.83 HSD11B1 (0.83) HSD11B1IDH1
SCHEMBL1973473 0.83 HSD11B1 (0.82) HSD11B1IDH1
Azd-4017 SCHEMBL1967884 0.82 HSD11B1 (1.00) 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-A1 Chemical compounds AstraZeneca AB (SE) 2010-09-29 EP disclosed