SCHEMBL2486790

SCHEMBL2486790

C=C(C)C(=O)OC[C@H]1O[C@@H](OC(=O)C(=C)C)[C@H](OC(=O)C(=C)C)[C@@H](OC(=O)C(=C)C)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGF1 P05230 2/20 0.41
▸ ANTXR2 P58335 1/20 0.37
▸ LGALS8 O00214 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CD69 Q07108 1/20 0.34
▸ PRKCA P17252 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ IGF2R P11717 1/20 0.33
▸ CA12 O43570 4/20 0.33
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ LGALS9 O00182 1/20 0.33
▸ LGALS1 P09382 1/20 0.33
▸ LGALS3 P17931 1/20 0.33
▸ LGALS7; LGALS7B P47929 1/20 0.33

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
SCHEMBL8512683 0.93 MEN1 (0.39) FGF1LGALS8ALDH1A1IGF2RLGALS9
SCHEMBL2486794 0.86 LGALS8 (0.43) FGF1LGALS8CD69LGALS9LGALS1
SCHEMBL9612347 0.85 LGALS8 (0.41) FGF1LGALS8LGALS9LGALS1LGALS3
SCHEMBL2492336 0.85 LGALS3 (0.43) LGALS8ALDH1A1IGF2RLGALS9LGALS1
SCHEMBL15441204 0.82 LGALS8 (0.41) FGF1LGALS8THRBALDH1A1CD69
SCHEMBL9610879 0.82 LGALS8 (0.38) LGALS8ALDH1A1LGALS9LGALS1LGALS3
SCHEMBL15926299 0.82 LGALS8 (0.38) LGALS8ALDH1A1LGALS9LGALS1LGALS3
SCHEMBL9612330 0.82 LGALS8 (0.38) LGALS8ALDH1A1LGALS9LGALS1LGALS3
SCHEMBL16173598 0.81 CYP2D6 (0.52) FGF1CYP2D6THRBHSD17B10PRKCA
SCHEMBL21924090 0.81 LGALS8 (0.40) FGF1LGALS8ALDH1A1CD69LGALS9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379635-B1 CELLULOSE BASED POLYMER MATERIAL CARLSBERG AS (DK) 2016-08-10 — — EP disclosed
US-8796362-B2 Cellulose based polymer material CARLSBERG A/S (DK) 2014-08-05 — — US disclosed
US-20120135170-A1 CELLULOSE BASED POLYMER MATERIAL CARLSBERG A/S 2012-05-31 — — US disclosed
EP-2379635-A1 CELLULOSE BASED POLYMER MATERIAL Carlsberg A/S (DK) 2011-10-26 — — EP disclosed
WO-2010069329-A1 CELLULOSE BASED POLYMER MATERIAL CARLSBERG A/S (DK) 2010-06-24 — — WO disclosed
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