SCHEMBL4698234

SCHEMBL4698234

Cc1cc(-c2cccc3cc(CC4CCN(C5CCCCC5)C4=O)ccc23)ccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
ALDH1A1 P00352 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
CASR P41180 1/20 0.34
KEAP1 Q14145 1/20 0.34
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
TLR8 Q9NR97 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
PPARG P37231 3/20 0.33
PPARA Q07869 2/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL4697099 0.89 HSD11B1 (0.53) HSD11B1ALDH1A1MCOLN3PPARGPPARA
SCHEMBL4698707 0.87 HSD11B1 (0.52) HSD11B1ALDH1A1MCOLN3
SCHEMBL4701145 0.86 HSD11B1 (0.51) HSD11B1ALDH1A1MCOLN3CASR
SCHEMBL4696865 0.84 HSD11B1 (0.47) HSD11B1ALDH1A1PPARGPPARA
SCHEMBL4697453 0.79 HSD11B1 (0.57) HSD11B1ALDH1A1MCOLN3CASR
SCHEMBL4697260 0.78 HSD11B1 (0.48) HSD11B1ALDH1A1MCOLN3
SCHEMBL4697458 0.77 HSD11B1 (0.58) HSD11B1ALDH1A1MCOLN3
SCHEMBL14143453 0.77 HSD11B1 (0.60) HSD11B1ALDH1A1MCOLN3
SCHEMBL4697308 0.76 HSD11B1 (0.59) HSD11B1ALDH1A1MCOLN3
SCHEMBL4751912 0.75 HSD11B1 (0.56) HSD11B1ALDH1A1

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-1830841-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-02 EP claimed