SCHEMBL27699062

SCHEMBL27699062

COC(=O)C1C2CC3CC(C2)C(NC(=O)N2CCCC(C)(C(=O)O)C2)C1C3

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.44
EPHX2 P34913 1/20 0.33
HSD11B2 P80365 3/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL3174558 0.77 HSD11B1 (0.44) HSD11B1EPHX2ALDH1A1
SCHEMBL3181151 0.76 HSD11B1 (0.38) HSD11B1EPHX2CYP1A2CYP2D6CYP2C9
SCHEMBL1223425 0.66 HSD11B1 (0.64) HSD11B1HSD11B2ALDH1A1CYP1A2CYP2D6
SCHEMBL13211223 0.65 HSD11B1 (0.65) HSD11B1EPHX2HSD11B2
SCHEMBL25269622 0.63 FFAR3 (0.44) EPHX2ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7018317 0.63 FFAR3 (0.44) EPHX2ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL25268918 0.63 FFAR3 (0.44) EPHX2ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL4100277 0.62 HSD11B1 (0.96) HSD11B1EPHX2
SCHEMBL1222842 0.61 HSD11B1 (1.00) HSD11B1HSD11B2CYP1A2
SCHEMBL4099349 0.60 HSD11B1 (1.00) HSD11B1EPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102816081-A Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBOTT LAB 2012-12-12 CN disclosed
CN-101142172-A Inhibitors of 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBOTT LAB (US) 2008-03-12 CN disclosed