SCHEMBL21064941

SCHEMBL21064941

CCCCOC(C)COC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.34
DNM1 Q05193 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 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
SCHEMBL17904930 1.00 MAPK1 (0.41) MAPK1TDP1DNM1ADRB2ADRB1
SCHEMBL4893450 0.87 MAPK1 (0.44) MAPK1TDP1
SCHEMBL4880871 0.83 TDP1 (0.42) MAPK1TDP1
SCHEMBL2435517 0.82 MAPK1 (0.45) MAPK1
SCHEMBL30549090 0.81 TDP1 (0.42) MAPK1TDP1
SCHEMBL25658298 0.79 DNM1 (0.36) TDP1DNM1
SCHEMBL19770356 0.78 TDP1 (0.39) TDP1DNM1ADRB2ADRB1ADRB3
SCHEMBL27625763 0.78 MAPK1 (0.48) MAPK1TDP1
SCHEMBL27097628 0.77 MAPK1 (0.48) MAPK1TDP1
SCHEMBL80455 0.76 TDP1 (0.52) TDP1ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538632-A1 SURFACTANT COMPOSITION COMPRISING AN AMYLASE Henkel AG & Co. KGaA (DE) 2019-09-18 EP disclosed
EP-3500610-A1 MAGNETIC NANOCAPSULES AS THERMOLATENT POLYMERIZATION CATALYSTS OR INITIATORS Henkel AG & Co. KGaA (DE) 2019-06-26 EP disclosed
CN-1766733-A Phototonus resin composition, spacer for display panel and display panel JSR CORP (JP) 2006-05-03 CN disclosed