SCHEMBL8088015

SCHEMBL8088015

C=CCN1C(=O)C(C)CCC1(C)C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
USP2 O75604 1/20 0.30
MAPK1 P28482 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
SCHEMBL8090185 0.84 KDM4E (0.31) SRD5A2LMNAMAPTKDM4EMEN1
SCHEMBL3706674 0.77 KDM4E (0.32) SRD5A2LMNAMAPTKDM4EMEN1
SCHEMBL8089735 0.75 CYP1A2 (0.35) MAPTKDM4EMEN1KMT2AUSP2
SCHEMBL20658012 0.63 SMN1; SMN2 (0.36) MAPTKDM4EMEN1KMT2A
SCHEMBL8091709 0.63 CYP1A2 (0.33)
SCHEMBL4338458 0.62
SCHEMBL4594212 0.61 PIK3CD (0.55) MAPTL3MBTL1
SCHEMBL29471355 0.60 NPSR1 (0.32) MAPT
SCHEMBL17596363 0.60 HDAC3 (0.36) LMNAMAPTMEN1KMT2AUSP2
SCHEMBL8086329 0.60 KDM4E (0.35) MAPTKDM4EMEN1KMT2A

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-2009013535-A1 2-AZABICYCLO(2.2.2)OCTANE DERIVATIVES AS MODULATORS OF THE GLYCINE TRANSPORTER I RECEPTOR ASTRAZENECA AB (SE) 2009-01-29 WO disclosed