SCHEMBL19647913

SCHEMBL19647913

CCCCCC(CCCCC)C1(C(N)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
GPR84 Q9NQS5 6/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 2/20 0.38
FFAR1 O14842 1/20 0.38
EPHX1 P07099 1/20 0.38
LAP3 P28838 2/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
DPP7 Q9UHL4 1/20 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
SCHEMBL29969036 0.95 GRIK1 (0.40) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL7061809 0.81 GPR84 (0.44) GPR84FFAR1EPHX1LAP3MAPT
SCHEMBL20341607 0.74 GPR84 (0.44) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL17818503 0.74 GPR84 (0.41) GPR84FFAR1EPHX1MAPTTP53
SCHEMBL8972391 0.73 EPHX1 (0.39) GRIK1GRIK2GPR84CA1CA2
SCHEMBL4553798 0.73 EPHX1 (0.39) GRIK1GRIK2GPR84CA1CA2
SCHEMBL3472515 0.70 GPR84 (0.41) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL16326700 0.69 GRIK1 (0.52) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL21929716 0.69 GRIK1 (0.52) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL1814169 0.69 GRIK1 (0.52) GRIK1GRIK2SLC1A2SLC1A1GPR84

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
EP-2968275-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-29 EP disclosed