SCHEMBL28149457

SCHEMBL28149457

C=CC(CC=CC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.44
GRIK2 Q13002 6/20 0.44
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
BLM P54132 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
CTSK P43235 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
SCHEMBL7745830 0.80 GRIK1 (0.46) GRIK1GRIK2FNTAFNTBCTSK
SCHEMBL7745831 0.80 GRIK1 (0.46) GRIK1GRIK2FNTAFNTBCTSK
SCHEMBL7745838 0.80 GRIK1 (0.46) GRIK1GRIK2FNTAFNTBCTSK
SCHEMBL1618931 0.78 TSHR (0.44) GRIK1GRIK2BLMTSHR
SCHEMBL11372036 0.78 TSHR (0.44) GRIK1GRIK2BLMTSHR
SCHEMBL11086820 0.78 GRIK1 (0.31) GRIK1GRIK2
SCHEMBL11086824 0.78 GRIK1 (0.31) GRIK1GRIK2
SCHEMBL471837 0.77
SCHEMBL29957191 0.77
SCHEMBL29953144 0.77

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
CN-107022326-A The IMD glue of roof panels high adhesion force 滁州金桥德克新材料有限公司 2017-08-08 CN disclosed