SCHEMBL9702601

SCHEMBL9702601

CCCCCCCC(O)C(C(=O)O)[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 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.43
SELL P14151 10/20 0.42
SELP P16109 10/20 0.42
CD44 P16070 1/20 0.36

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
SCHEMBL8014106 1.00 TLR4 (0.43) TLR4SELLSELPCD44
SCHEMBL9701898 0.85 GPR84 (0.41) TLR4SELLSELP
SCHEMBL8024549 0.85 GPR84 (0.41) TLR4SELLSELP
SCHEMBL8859152 0.80 SELL (0.39) TLR4SELLSELPCD44
SCHEMBL29410170 0.78 SELL (0.41) TLR4SELLSELPCD44
SCHEMBL15832890 0.76 SELP (0.38) TLR4SELLSELP
SCHEMBL15832872 0.76 SELP (0.38) TLR4SELLSELP
SCHEMBL15832910 0.76 SELP (0.38) TLR4SELLSELP
SCHEMBL8026363 0.76 SELL (0.41) TLR4SELLSELPCD44
SCHEMBL5055853 0.76 SELL (0.41) TLR4SELLSELPCD44

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-5128262-A Biosurfactant WINTERSHELL AG (DE) 1992-07-07 US claimed
US-5128262-A Biosurfactant WINTERSHELL AG (DE) 1992-07-07 US disclosed