SCHEMBL17123786

SCHEMBL17123786

CCCCCCC(COCC(C)OCC(C)N)OCC(C)OCC(C)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
SPHK1 Q9NYA1 2/20 0.37
TP53 P04637 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
TLR2 O60603 2/20 0.33
DNM1 Q05193 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
CYP2D6 P10635 2/20 0.32
HTT P42858 2/20 0.32
PLA2G1B P04054 1/20 0.32
PLA2G2A P14555 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 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
SCHEMBL21835904 0.81 HTT (0.47) OPRM1SPHK1TDP1TLR2DNM1
SCHEMBL96126 0.81 OPRM1 (0.54) OPRM1SPHK1TP53DNM1CYP2D6
SCHEMBL1276985 0.80 HTT (0.49) OPRM1SPHK1TDP1TLR2DNM1
SCHEMBL10313070 0.80 HTT (0.49) OPRM1SPHK1TDP1TLR2DNM1
SCHEMBL114180 0.80 HTT (0.49) OPRM1SPHK1TDP1TLR2DNM1
SCHEMBL21835920 0.80 TDP1 (0.47) OPRM1SPHK1TDP1TLR2DNM1
SCHEMBL21835942 0.78 TDP1 (0.48) OPRM1SPHK1TDP1TLR2DNM1
SCHEMBL15819991 0.78 TDP1 (0.48) OPRM1SPHK1TDP1TLR2HTT
SCHEMBL20357616 0.76 TDP1 (0.39) TDP1
SCHEMBL20450484 0.76 TDP1 (0.39) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771547-B2 Cleaning compositions containing a polyetheramine THE PROCTER & GAMBLE COMPANY (US) 2017-09-26 US disclosed
US-9771547-B2 Cleaning compositions containing a polyetheramine THE PROCTER & GAMBLE COMPANY (US) 2017-09-26 US disclosed
WO-2015148890-A1 CLEANING COMPOSITIONS CONTAINING A POLYETHERAMINE THE PROCTER & GAMBLE COMPANY (US) 2015-10-01 WO disclosed
US-20150275144-A1 CLEANING COMPOSITIONS CONTAINING A POLYETHERAMINE THE PROCTER & GAMBLE COMPANY 2015-10-01 US disclosed
US-20150275144-A1 CLEANING COMPOSITIONS CONTAINING A POLYETHERAMINE THE PROCTER & GAMBLE COMPANY 2015-10-01 US disclosed