SCHEMBL16685703

SCHEMBL16685703

C#CC1CC(COCc2ccc(OC)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.41
AGXT P21549 2/20 0.41
TRPV6 Q9H1D0 1/20 0.39
MAOB P27338 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PYCR1 P32322 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE2A O00408 1/20 0.37
NAAA Q02083 1/20 0.37
APP P05067 3/20 0.37

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
SCHEMBL3049370 0.85 NAAA (0.43) IDO1AGXTTRPV6MAOBCA1
SCHEMBL16686216 0.79 IDO1 (0.43) IDO1AGXTTRPV6MAOBCA1
SCHEMBL16685900 0.79 NAAA (0.51) IDO1AGXTMAOBPYCR1PDE2A
SCHEMBL16685927 0.77 HTT (0.45) CA1CA2
Methyl Alcohol SCHEMBL8601404 0.77 CA1 (0.42) IDO1AGXTTRPV6CA1CA2
SCHEMBL16448678 0.77 IDO1 (0.41) IDO1AGXTTRPV6MAOBCA1
SCHEMBL16448677 0.77 IDO1 (0.41) IDO1AGXTTRPV6MAOBCA1
SCHEMBL15536619 0.76 IDO1 (0.47) IDO1AGXTTRPV6MAOBCA1
SCHEMBL26986104 0.72 CA1 (0.43) IDO1AGXTTRPV6MAOBCA1
SCHEMBL34413 0.71 IDO1 (0.67) IDO1AGXTMAOBCA1CA2

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
WO-2015066413-A1 OXAZOLIDINONE HYDROXAMIC ACID COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2015-05-07 WO disclosed