SCHEMBL3875391

SCHEMBL3875391

CCCCCCCCCCCCCC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.52
PRKCA P17252 5/20 0.51
AKT1 P31749 1/20 0.50
MAPK1 P28482 1/20 0.50
GJB2 P29033 1/20 0.47
LY96 Q9Y6Y9 1/20 0.47

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
SCHEMBL2198642 1.00 TLR4 (0.52) TLR4PRKCAAKT1MAPK1GJB2
SCHEMBL8144862 1.00 TLR4 (0.52) TLR4PRKCAAKT1MAPK1GJB2
SCHEMBL8145211 1.00 TLR4 (0.52) TLR4PRKCAAKT1MAPK1GJB2
SCHEMBL4856848 1.00 TLR4 (0.52) TLR4PRKCAAKT1MAPK1GJB2
SCHEMBL5425896 1.00 TLR4 (0.52) TLR4PRKCAAKT1MAPK1GJB2
SCHEMBL6290144 1.00 TLR4 (0.52) TLR4PRKCAAKT1MAPK1GJB2
SCHEMBL2198649 1.00 TLR4 (0.52) TLR4PRKCAAKT1MAPK1GJB2
SCHEMBL2297828 1.00 TLR4 (0.52) TLR4PRKCAAKT1MAPK1GJB2
SCHEMBL10325897 1.00 TLR4 (0.52) TLR4PRKCAAKT1MAPK1GJB2
SCHEMBL10326063 1.00 TLR4 (0.52) TLR4PRKCAAKT1MAPK1GJB2

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
EP-2575824-A2 METHODS FOR THE TREATMENT AND PREVENTION OF INFLAMMATORY DISEASES Children's Medical Center Corporation (US) 2013-04-10 EP disclosed
WO-2011149881-A2 METHODS FOR THE TREATMENT AND PREVENTION OF INFLAMMATORY DISEASES CHILDREN'S MEDICAL CENTER CORPORATION (US) 2011-12-01 WO disclosed
US-7491707-B1 Synthetic lipid-a-analogs and uses thereof BIOMIRA, INC. (CA) 2009-02-17 US disclosed
CN-1029405-C Lipid A analogs having immunoactivating and anti-tumor activity SANKYO CO (JP) 1995-08-02 CN disclosed
CN-1052481-A Lipoid category-A with immunocompetence and anti-tumor activity is like thing SANKYO CO (JP) 1991-06-26 CN disclosed