SCHEMBL9701898

SCHEMBL9701898

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
SELP P16109 8/20 0.38
SELL P14151 7/20 0.38
MAPT P10636 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
TLR4 O00206 1/20 0.37

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
SCHEMBL8024549 1.00 GPR84 (0.41) GPR84FFAR1SELPSELLMAPT
SCHEMBL15832872 0.87 SELP (0.38) SELPSELLTLR4
SCHEMBL15832890 0.87 SELP (0.38) SELPSELLTLR4
SCHEMBL15832910 0.87 SELP (0.38) SELPSELLTLR4
SCHEMBL8014106 0.85 TLR4 (0.43) SELPSELLTLR4
SCHEMBL9702601 0.85 TLR4 (0.43) SELPSELLTLR4
SCHEMBL6536605 0.84 SELP (0.34) GPR84FFAR1SELPSELLTLR4
SCHEMBL17001438 0.76 TLR4 (0.34) GPR84SELPSELLTLR4
SCHEMBL21999575 0.75 SELL (0.35) SELPSELL
SCHEMBL23640077 0.72 SELL (0.33) SELPSELL

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