SCHEMBL12640922

SCHEMBL12640922

COC(=O)CC(C(=O)OC)=C1CCCCCCCCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.40
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
GRIK3 Q13003 1/20 0.37
GRIK5 Q16478 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TET2 Q6N021 1/20 0.35
TSHR P16473 3/20 0.34
HSD17B10 Q99714 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
EPHX2 P34913 2/20 0.32
TP53 P04637 2/20 0.32
KMT2A Q03164 2/20 0.31
ESR1 P03372 1/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL14598192 1.00 GRIK1 (0.40) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL6551852 1.00 GRIK1 (0.40) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL13783789 0.98 MGAM (0.38) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL6555623 0.85 GRIK1 (0.43) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL13917775 0.82 GRIK1 (0.46) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL13060426 0.82 GRIK1 (0.42) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL14277683 0.78 GRIK1 (0.42) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL4661676 0.75 MGAM (0.45) GRIK1MGAMGAASIMGAM2
SCHEMBL6356441 0.73 SLC6A2 (0.35) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL29138432 0.71 SLC6A2 (0.38) GRIK1SLC6A2SLC6A3KMT2AESR1

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-2333028-A1 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2011-06-15 EP disclosed