SCHEMBL8582014

SCHEMBL8582014

C=CCO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O)[C@H]1N

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ YWHAZ P63104 3/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 1/20 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
SCHEMBL7143326 1.00 YWHAZ (0.32) YWHAZCA1CA2CA9
SCHEMBL4205268 0.89 YWHAZ (0.36) YWHAZCA1CA2CA9
SCHEMBL13909435 0.89 YWHAZ (0.36) YWHAZCA1CA2CA9
SCHEMBL7886992 0.81 ALDH1A1 (0.36) CA1CA2
SCHEMBL7567193 0.81 ALDH1A1 (0.36) CA1CA2
SCHEMBL7889397 0.81 ALDH1A1 (0.36) CA1CA2
SCHEMBL3933081 0.81 YWHAZ (0.32) YWHAZCA1CA2CA9
SCHEMBL16135486 0.80 CA2 (0.36) YWHAZCA1CA2CA9
SCHEMBL8435871 0.80 CA2 (0.36) YWHAZCA1CA2CA9
SCHEMBL15279231 0.80 L3MBTL1 (0.37) YWHAZCA1CA2CA9

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-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 — — US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 — — EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 — — EP disclosed
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