SCHEMBL11014335

SCHEMBL11014335

CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O)[C@H](OC)[C@@H](O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.46
DGKA P23743 1/20 0.44
TNF P01375 1/20 0.43
PAM P19021 2/20 0.41
LPAR1 Q92633 3/20 0.41
LPAR3 Q9UBY5 3/20 0.41
AKT1 P31749 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ENPP2 Q13822 2/20 0.40
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL9404184 1.00 TLR4 (0.46) TLR4DGKATNFPAMLPAR1
SCHEMBL9404178 0.88 TLR4 (0.46) TLR4DGKAPAMLPAR1LPAR3
SCHEMBL17318241 0.88 TLR4 (0.51) TLR4DGKAPAMLPAR1LPAR3
SCHEMBL2195708 0.86 TLR4 (0.53) TLR4DGKAPAMLPAR1LPAR3
SCHEMBL2830913 0.86 TLR4 (0.53) TLR4DGKAPAMLPAR1LPAR3
SCHEMBL7049923 0.86 TLR4 (0.53) TLR4DGKAPAMLPAR1LPAR3
SCHEMBL13561244 0.86 TLR4 (0.53) TLR4DGKAPAMLPAR1LPAR3
SCHEMBL9230101 0.86 TLR4 (0.53) TLR4DGKAPAMLPAR1LPAR3
SCHEMBL9225257 0.86 TLR4 (0.53) TLR4DGKAPAMLPAR1LPAR3
SCHEMBL21662370 0.86 TLR4 (0.53) TLR4DGKAPAMLPAR1LPAR3

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
EP-0144894-A2 Therapeutic application of substituted O-acyl-glycosides BAYER AG (DE) 1985-06-19 EP claimed
EP-0144894-A2 Therapeutic application of substituted O-acyl-glycosides BAYER AG (DE) 1985-06-19 EP disclosed