Sugi Predict

Sugi Predict / Compounds / SCHEMBL3404029

SCHEMBL3404029

SCHEMBL3404029

CCCSc1nc(N2CCC([C@H](C)C(=O)O)CC2)ccc1C(=O)NC1CCCCC1.CCCSc1nc(N2CCC[C@H]2C(=O)O)ccc1C(=O)NC1CCCCC1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 18/20 0.79
▸ IDH1 O75874 2/20 0.55

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
SCHEMBL3404022 1.00 HSD11B1 (0.79) HSD11B1IDH1
SCHEMBL1971204 0.92 HSD11B1 (0.78) HSD11B1IDH1
SCHEMBL1968738 0.90 HSD11B1 (0.96) HSD11B1IDH1
SCHEMBL1968739 0.90 HSD11B1 (0.96) HSD11B1IDH1
SCHEMBL2007969 0.89 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL3404025 0.88 HSD11B1 (0.67) HSD11B1IDH1
SCHEMBL3398864 0.86 HSD11B1 (0.77) HSD11B1IDH1
SCHEMBL3247505 0.84 HSD11B1 (0.79) HSD11B1IDH1
SCHEMBL2002344 0.83 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL2003389 0.82 HSD11B1 (0.94) 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