SCHEMBL16685993

SCHEMBL16685993

C#CC1CC(C)(OCc2ccc(OC)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.41
AGXT P21549 2/20 0.41
PYCR1 P32322 1/20 0.41
NAAA Q02083 2/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
PDE2A O00408 1/20 0.37
APP P05067 5/20 0.37
MAOB P27338 2/20 0.36
CHRM2 P08172 1/20 0.36
GLA P06280 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL16685865 0.78 IDO1 (0.42) IDO1AGXTNAAAFAAHMGLL
SCHEMBL16685985 0.78 IDO1 (0.42) IDO1AGXTNAAAFAAHMGLL
SCHEMBL16686234 0.77 HTT (0.45) NPSR1
SCHEMBL16685900 0.73 NAAA (0.51) IDO1AGXTPYCR1NAAAPDE2A
SCHEMBL16685703 0.71 IDO1 (0.41) IDO1AGXTPYCR1NAAAPDE2A
SCHEMBL17723908 0.66 IDO1 (0.42) IDO1AGXTAPPMAOB
SCHEMBL3803477 0.64 IDO1 (0.52) IDO1AGXTPYCR1PDE2AAPP
SCHEMBL22729788 0.64 PYCR1 (0.61) PYCR1CHRM2
SCHEMBL28829904 0.64 GLA (0.50) IDO1AGXTMAOBGLANPSR1
SCHEMBL21107127 0.64 IDO1 (0.47) IDO1AGXTAPPMAOB

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