SCHEMBL2279209

SCHEMBL2279209

[2H]N(CCCCCCC)C(=O)OC[C@H]1OC(OC)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.48
AKT1 P31749 1/20 0.38
G6PD P11413 1/20 0.38
SELP P16109 1/20 0.37
MAPK1 P28482 1/20 0.37
EPHX1 P07099 1/20 0.36
GBA1 P04062 2/20 0.36
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCI P41743 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCZ Q05513 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKD1 Q15139 1/20 0.36
VEGFA P15692 1/20 0.35

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
SCHEMBL60345 0.88 TLR4 (0.50) TLR4AKT1EPHX1
SCHEMBL18976840 0.88 TLR4 (0.50) TLR4AKT1EPHX1
SCHEMBL60344 0.88 TLR4 (0.50) TLR4AKT1EPHX1
SCHEMBL15870614 0.88 TLR4 (0.50) TLR4AKT1EPHX1
SCHEMBL3635578 0.88 TLR4 (0.50) TLR4AKT1EPHX1
Urethane SCHEMBL3737671 0.81 TLR4 (0.44) TLR4G6PDEPHX1
SCHEMBL12284424 0.79 TLR4 (0.59) TLR4AKT1SELPPRKD3PRKCG
SCHEMBL13742841 0.79 TLR4 (0.59) TLR4AKT1SELPPRKD3PRKCG
SCHEMBL8907814 0.79 TLR4 (0.59) TLR4AKT1SELPPRKD3PRKCG
SCHEMBL8907849 0.79 TLR4 (0.59) TLR4AKT1SELPPRKD3PRKCG

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-9341633-B2 Method for pre-treating sample containing glycated hemoglobin SEKISUI MEDICAL CO., LTD. (JP) 2016-05-17 US claimed
US-7998699-B2 Exposing the blood sample to an enzyme-detergent combination such as plasminogen and streptokinase, and analyzing the exposed blood sample for the presence of particles UNIVERSITY OF SOUTH FLORIDA (US) 2011-08-16 US disclosed