SCHEMBL11949397

SCHEMBL11949397

CC(C)CCCC(C)CCCC(C)CCCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
LGALS8 O00214 1/20 0.44
LGALS3 P17931 1/20 0.44
LGALS4 P56470 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CD209 Q9NNX6 1/20 0.43
IGF2R P11717 4/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL11949398 1.00 GAA (0.45) GAALGALS8LGALS3LGALS4CDK1
SCHEMBL11949413 1.00 GAA (0.45) GAALGALS8LGALS3LGALS4CDK1
SCHEMBL3564400 0.90 LGALS8 (0.45) GAALGALS8LGALS3LGALS4ACHE
SCHEMBL2735608 0.90 LGALS8 (0.45) GAALGALS8LGALS3LGALS4ACHE
SCHEMBL3564399 0.90 LGALS8 (0.45) GAALGALS8LGALS3LGALS4ACHE
SCHEMBL11949386 0.89 GAA (0.40) GAALGALS8LGALS3LGALS4CDK1
SCHEMBL11949389 0.89 GAA (0.40) GAALGALS8LGALS3LGALS4CDK1
SCHEMBL3572583 0.88 LGALS8 (0.43) GAALGALS8LGALS3LGALS4ACHE
SCHEMBL4379789 0.88 LGALS8 (0.43) GAALGALS8LGALS3LGALS4ACHE
SCHEMBL20094764 0.87 GAA (0.51) GAALGALS8LGALS3LGALS4CDK1

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
US-8232431-B2 Specific branched surfactants and consumer products THE PROCTER & GAMBLE COMPANY (US) 2012-07-31 US disclosed
US-20110034363-A1 Specific Branched Surfactants and Consumer Products THE PROCTER & GAMBLE COMPANY 2011-02-10 US disclosed