SCHEMBL8990557

SCHEMBL8990557

COC(C)(C)C(=O)OC(C)Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRB3 P13945 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 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
SCHEMBL23293044 0.81 TSHR (0.42) MEN1USP2ABCB11LMNACYP1A2
SCHEMBL6006763 0.79 MEN1 (0.30) MEN1USP2ABCB11LMNACYP1A2
SCHEMBL10417600 0.78 PRKCA (0.42) MEN1TSHRKMT2A
SCHEMBL1170858 0.78 PRKCA (0.42) MEN1TSHRKMT2A
SCHEMBL6948877 0.77 PRKCA (0.31)
SCHEMBL6948871 0.77 PRKCA (0.31)
SCHEMBL11047853 0.76 TSHR (0.31) TSHR
SCHEMBL25258063 0.74 MEN1 (0.32) MEN1USP2ABCB11LMNACYP1A2
SCHEMBL6583904 0.72
SCHEMBL11446926 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5587374-A BACTERICIDES TREATING INFECTIONS GLAXO SPA (IT) 1996-12-24 US disclosed
EP-0495953-B1 10-(1-Hydroxyethyl)-11-oxo-1-azatricyclo[7.2.0.0(3,8)]undec-2-ene-2-carboxylic acid esters and a process for preparing thereof GLAXO SPA (IT) 1994-06-08 EP disclosed
EP-0495953-A1 10-(1-Hydoxyethyl)-11-oxo-1-azatricyclo(7.2.0.0(3,8)undec-2-ene-2-carboxylic acid esters and a process for preparing thereof. GLAXO SPA (IT) 1992-07-29 EP disclosed
WO-1992003437-A1 10(1-HYDROXYETHYL)-11-OXO-1-AZATRICYCLO[7.2.0.0.3.8]UNDEC-2-ENE-2-CARBOXYLIC ACID ESTERS AND A PROCESS FOR PREPARING THEREOF GLAXO S.P.A. (IT) 1992-03-05 WO disclosed