SCHEMBL2321877

SCHEMBL2321877

CC(O)C1CCCCC12OC(CO)C(CO)O2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
ATP1A1 P05023 1/20 0.31
ATP1B1 P05026 1/20 0.31
ATP1A3 P13637 1/20 0.31
ATP1B2 P14415 1/20 0.31
ATP1A2 P50993 1/20 0.31
ATP1B3 P54709 1/20 0.31
FXYD2 P54710 1/20 0.31
ATP1A4 Q13733 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
SCHEMBL6395191 0.63
SCHEMBL7330626 0.63
SCHEMBL11367702 0.62 ATP1A1 (0.34) L3MBTL1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL9119238 0.61 GAA (0.31)
SCHEMBL2657134 0.61 GAA (0.31)
SCHEMBL1160869 0.60 ATP1A1 (0.33) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL12389714 0.59
SCHEMBL18121606 0.59
SCHEMBL11027842 0.58 DHCR24 (0.31)
SCHEMBL4789007 0.57 L3MBTL1 (0.36) L3MBTL1ATP1A1ATP1B1ATP1A3ATP1B2

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 3 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
EP-1472209-A2 LIPOXIN A4 ANALOGS SCHERING AKTIENGESELLSCHAFT (DE) 2004-11-03 EP disclosed
WO-2003040080-A2 LIPOXIN A4 ANALOGS SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-15 WO disclosed