SCHEMBL5511640

SCHEMBL5511640

CCOC(=O)C(C)(C)Oc1ccc(-c2ccc(CC3CCN(C4CCCCC4)C3=O)cc2)c(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.45
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
PPARA Q07869 1/20 0.34
LMNA P02545 4/20 0.33
POLB P06746 2/20 0.33
CES2 O00748 1/20 0.33
FBP1 P09467 4/20 0.33
PKM P14618 1/20 0.33
TP53 P04637 2/20 0.30
GPR119 Q8TDV5 2/20 0.30
CNR2 P34972 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5507886 0.90 HSD11B1 (0.50) HSD11B1PPARACES2
SCHEMBL5511644 0.85 PPARA (0.42) HSD11B1ALDH1A1MAPK1ABCB11CYP1A2
SCHEMBL2993657 0.77 PPARA (0.44) HSD11B1ALDH1A1MAPK1ABCB11CYP1A2
SCHEMBL4065127 0.77 HSD11B1 (0.58) HSD11B1ALDH1A1CES2SMN1; SMN2
SCHEMBL5507891 0.75 HSD11B1 (0.43) HSD11B1CYP1A2CYP3A4TSHRPPARA
SCHEMBL5511643 0.71 FBP1 (0.34) ALDH1A1ABCB11CYP1A2CYP3A4TSHR
SCHEMBL4241672 0.70 HSD11B1 (0.45) HSD11B1CES2
SCHEMBL3548392 0.70 HSD11B1 (0.76) HSD11B1ALDH1A1CYP3A4CES2TP53
SCHEMBL3548948 0.69 HSD11B1 (0.74) HSD11B1TSHRLMNATP53
SCHEMBL3549526 0.69 HSD11B1 (0.69) HSD11B1ALDH1A1CES2

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
EP-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP disclosed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO disclosed