SCHEMBL2664332

SCHEMBL2664332

CCC(O)C/C=C/c1cccc(C=N)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.38
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
EPOR P19235 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSC P53634 1/20 0.33
ALOX5 P09917 1/20 0.33
ALOX5AP P20292 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NFE2L2 Q16236 1/20 0.32
PIN1 Q13526 1/20 0.32
APP P05067 2/20 0.32

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
SCHEMBL5773300 0.81 HTR2A (0.56) HTR2AGRIK1GRIK2CTSC
SCHEMBL5771311 0.81 HTR2A (0.56) HTR2AGRIK1GRIK2CTSC
SCHEMBL20810341 0.76 TLR8 (0.36) HTR2AALDH1A1ALOX5ALOX5APPTGS1
SCHEMBL16243426 0.70 NFE2L2 (0.38) ALDH1A1NFE2L2
SCHEMBL23252588 0.69 CNR2 (0.42) ALDH1A1NFE2L2APP
SCHEMBL31149192 0.68 NFE2L2 (0.41) HTR2ANFE2L2APP
SCHEMBL13703292 0.68 HDAC4 (0.41) HTR2AGRIK1GRIK2EPORALDH1A1
SCHEMBL13703318 0.68 HDAC4 (0.41) HTR2AGRIK1GRIK2EPORALDH1A1
SCHEMBL16955931 0.67 NFE2L2 (0.47) MAPTPTGS1PTGS2NFE2L2
SCHEMBL15178223 0.67 CETP (0.35) HTR2AMAPT

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-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed