SCHEMBL6552914

SCHEMBL6552914

CCC(CC)C(CC)(CC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.40
KIF11 P52732 2/20 0.40
LMNA P02545 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 1/20 0.36
TTR P02766 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
GRIN2D O15399 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN2B Q13224 2/20 0.36
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL26003240 0.88 TAAR1 (0.41) KCNN4KIF11TAAR1
SCHEMBL4077009 0.80 KIF11 (0.41) KCNN4KIF11LMNATAAR1GRIN1
SCHEMBL9579235 0.79 RIPK1 (0.42) KCNN4KIF11TAAR1MEN1KMT2A
SCHEMBL6552391 0.78 MEN1 (0.42) LMNAMEN1KMT2AGRIN1GRIN2A
SCHEMBL4454908 0.77 GRIN1 (0.43) KCNN4KIF11LMNATAAR1MEN1
SCHEMBL756001 0.77 LMNA (0.42) KCNN4LMNAMEN1KMT2AGRIN1
Ammonia Solution, Strong SCHEMBL9711079 0.77 GRIN1 (0.47) KCNN4KIF11LMNAGRIN1GRIN2A
SCHEMBL9064416 0.76 TAAR1 (0.40) KCNN4KIF11LMNATAAR1MEN1
SCHEMBL28132136 0.73 KCNN4 (0.44) KCNN4KIF11LMNATAAR1MEN1
SCHEMBL5476175 0.72 TAAR1 (0.38) KCNN4KIF11LMNATAAR1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485106-A2 PHOSPHONATE-PHOSPHATE AND DIPHOSPHONATE APOLIPOPROTEIN E MODULATORS Ilex Products, Inc. (US) 2004-12-15 EP claimed
WO-2003070179-A2 PHOSPHONATE-PHOSPHATE AND DIPHOSPHONATE APOLIPOPROTEIN E MODULATORS ILEX PRODUCTS, INC. (US) 2003-08-28 WO claimed