SCHEMBL8859152

SCHEMBL8859152

CCCCCCCC(O)CC(=O)C(CCCCCCC(O)CC(=O)C(C(=O)O)C(O)CCCCCCC)[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SELL P14151 10/20 0.39
SELP P16109 9/20 0.39
TLR4 O00206 1/20 0.38
GPR84 Q9NQS5 2/20 0.33
CD44 P16070 1/20 0.33

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
SCHEMBL5055853 0.88 SELL (0.41) SELLSELPTLR4GPR84CD44
SCHEMBL8026363 0.88 SELL (0.41) SELLSELPTLR4GPR84CD44
SCHEMBL9702601 0.80 TLR4 (0.43) SELLSELPTLR4CD44
SCHEMBL8014106 0.80 TLR4 (0.43) SELLSELPTLR4CD44
SCHEMBL14957946 0.79 GPR84 (0.42) SELLSELPTLR4GPR84
SCHEMBL8013415 0.79 GPR84 (0.42) SELLSELPTLR4GPR84
SCHEMBL17294503 0.79 GPR84 (0.42) SELLSELPTLR4GPR84
SCHEMBL3781567 0.79 GPR84 (0.42) SELLSELPTLR4GPR84
SCHEMBL14332067 0.79 GPR84 (0.42) SELLSELPTLR4GPR84
SCHEMBL10534787 0.79 GPR84 (0.42) SELLSELPTLR4GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656747-A Process for the quantitative purification of glycolipids HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-12 US claimed