SCHEMBL21456967

SCHEMBL21456967

CC(C)(C)OOC1(OOC(C)(C)C)CCCCC1.CCCCC(CC(C)(OOC(C)(C)C)OOC(C)(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.39
MAPK1 P28482 1/20 0.39
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
SLC1A3 P43003 1/20 0.35
MME P08473 2/20 0.33
PPARG P37231 4/20 0.33
MMP2 P08253 3/20 0.32
MMP3 P08254 3/20 0.32
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
CA1 P00915 2/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL2335987 1.00 CA2 (0.39) CA2MAPK1SLC1A2SLC1A1SLC1A3
Cyclohexane SCHEMBL1991228 0.88 CA2 (0.49) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL22530 0.84 CA2 (0.53) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL8429202 0.80 CA2 (0.49) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL8966807 0.80 CA2 (0.37) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL8387652 0.74 CA2 (0.40) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL1883197 0.73 CA2 (0.50) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL6763270 0.72 CA2 (0.46) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL21456968 0.72 DGKA (0.34) MAPK1MEN1KMT2A
SCHEMBL3477708 0.72 TSHR (0.34)

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-3553146-A1 ADHESIVE COMPOSITION AND USE OF SAME Toagosei Co., Ltd. (JP) 2019-10-16 EP disclosed