SCHEMBL3828872

SCHEMBL3828872

CCN(CC)C(C(C)=O)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.46
AOC3 Q16853 1/20 0.44
MMP9 P14780 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
KCNH2 Q12809 1/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
TNF P01375 1/20 0.41
ATM Q13315 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
MTNR1A P48039 1/20 0.40

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
SCHEMBL6091557 0.82 UGT2B7 (0.50) UGT2B7AOC3MMP9SLC6A2SLC6A4
SCHEMBL890238 0.80 PGR (0.49) OPRD1KCNH2GLACYP1A2CYP2D6
SCHEMBL14816808 0.80 PGR (0.49) OPRD1KCNH2GLACYP1A2CYP2D6
SCHEMBL7259343 0.75 HDAC4 (0.44) AOC3OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL3971799 0.75 ACHE (0.44) UGT2B7MMP9SLC6A2SLC6A4SLC6A3
SCHEMBL7261194 0.73 BRD4 (0.50) AOC3OPRM1OPRD1SLC6A4SLC6A3
SCHEMBL7255569 0.73 HPGD (0.42) AOC3MEN1KMT2ATSHR
SCHEMBL11626007 0.73 UGT2B7 (0.47) UGT2B7AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL19042004 0.73 UGT2B7 (0.60) UGT2B7AOC3MMP9SLC6A2SLC6A4
SCHEMBL15695558 0.73 UGT2B7 (0.60) UGT2B7MMP9CYP1A2TSHR

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-2099762-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-16 EP disclosed
WO-2008068266-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed