SCHEMBL1619137

SCHEMBL1619137

CC(C)(C)C(OC[C@@H]1OC2(CCCCC2)O[C@@H]1C=O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL1619331 0.83
SCHEMBL1618840 0.83
SCHEMBL1618841 0.83
SCHEMBL1618558 0.78
SCHEMBL2658035 0.74
SCHEMBL4344073 0.73
SCHEMBL13351377 0.66
SCHEMBL20856964 0.66 POLB (0.32) POLBGAAMAPK1NPSR1
SCHEMBL20856976 0.66 POLB (0.32) POLBGAAMAPK1NPSR1
SCHEMBL30170199 0.64 SLC1A3 (0.49)

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-7994346-B2 such as methyl 2-({(4S,5R)-5-[(1E,3E,7E)-(S)-10-(4-fluorophenoxy)-9-hydroxydeca-1,3,7-trien-5-yn-1-yl]-2,2-dimethyl-1,3-dioxolan-4-yl}methoxy)acetate, useful in treating inflammatory and autoimmune disorders in humans BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-09 US disclosed
US-7928255-B2 Intermediates for the preparation of lipoxin A4 analogs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-19 US disclosed