SCHEMBL13824098

SCHEMBL13824098

CCCC(C)C(OC1OC(C)C(O)C(OC)C1O)C(C)OC1OC(CO)C(O)C(O/C(=C\C2CCCCC2)C(=O)NO)C1OC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 9/20 0.41
▸ SELE P16581 5/20 0.40
▸ LGALS3 P17931 5/20 0.34
▸ LGALS4 P56470 4/20 0.34
▸ LGALS9 O00182 1/20 0.33
▸ LGALS1 P09382 1/20 0.33
▸ LGALS7; LGALS7B P47929 1/20 0.33
▸ LGALS8 O00214 2/20 0.32

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
SCHEMBL9613447 0.76 LGALS3 (0.46) SELPSELELGALS3LGALS4LGALS9
SCHEMBL12942205 0.76 SELE (0.56) SELPSELE
SCHEMBL12945076 0.74 SELE (0.51) SELPSELE
SCHEMBL9613520 0.73 SELE (0.48) SELPSELELGALS3LGALS9LGALS1
SCHEMBL12630606 0.69 SELE (0.57) SELPSELE
SCHEMBL9613575 0.68 SELE (0.57) SELPSELELGALS3LGALS9LGALS1
SCHEMBL12942287 0.68 SELE (0.57) SELPSELE
SCHEMBL9613569 0.66 SELE (0.55) SELPSELE
SCHEMBL12630624 0.66 SELE (0.58) SELPSELE
SCHEMBL9613582 0.66 SELE (0.52) SELPSELE

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
WO-2009073916-A1 IMPROVED TREATMENT AND PROPHYLAXIS MATER MEDICAL RESEARCH INSTITUTE (AU) 2009-06-18 — — WO disclosed
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