Sugi Predict

Sugi Predict / Compounds / SCHEMBL3777369

SCHEMBL3777369

SCHEMBL3777369

CC(C)(Oc1ccccc1S(C)(=O)=O)C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2.CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OC(C)(C)C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 20/20 0.57
▸ HSD11B2 P80365 11/20 0.57

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
SCHEMBL1046103 0.94 HSD11B1 (0.64) HSD11B1HSD11B2
SCHEMBL1045845 0.86 HSD11B1 (0.71) HSD11B1HSD11B2
SCHEMBL2828313 0.83 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL2828312 0.83 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL1044889 0.79 HSD11B1 (0.65) HSD11B1HSD11B2
SCHEMBL1045447 0.77 HSD11B1 (0.83) HSD11B1HSD11B2
SCHEMBL1043947 0.76 HSD11B1 (0.77) HSD11B1HSD11B2
SCHEMBL1045063 0.75 HSD11B1 (0.76) HSD11B1HSD11B2
SCHEMBL1044672 0.74 HSD11B1 (0.74) HSD11B1HSD11B2
SCHEMBL2826242 0.74 HSD11B1 (0.54) HSD11B1HSD11B2

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-7855308-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2010-12-21 — — US claimed