SCHEMBL12729386

SCHEMBL12729386

CCS[C@@H]1OC2COC(C)(C)O[C@H]2[C@@H](OC)C1OC(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ LGALS9 O00182 1/20 0.36
▸ LGALS1 P09382 1/20 0.36
▸ LGALS3 P17931 1/20 0.36
▸ LGALS7; LGALS7B P47929 1/20 0.36
▸ ELANE P08246 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ BCHE P06276 3/20 0.34
▸ ABCB1 P08183 4/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ METAP2 P50579 2/20 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
SCHEMBL1648065 1.00 ALDH1A1 (0.37) ALDH1A1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL12411311 0.89 NT5E (0.36) ALDH1A1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL5460304 0.85 PKM (0.35) TSHRMETAP2
SCHEMBL402647 0.85 PKM (0.35) TSHRMETAP2
SCHEMBL7932128 0.83 ALDH1A1 (0.38) ALDH1A1GAABCHEABCB1L3MBTL1
SCHEMBL13024785 0.81 L3MBTL1 (0.52) ALDH1A1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL14362931 0.80 METAP2 (0.37) BCHEL3MBTL1METAP2
SCHEMBL14440540 0.77 ALDH1A1 (0.43) ALDH1A1GAABCHEABCB1L3MBTL1
SCHEMBL14440928 0.77 ALDH1A1 (0.43) ALDH1A1GAABCHEABCB1L3MBTL1
SCHEMBL14568965 0.77 ALDH1A1 (0.43) ALDH1A1GAABCHEABCB1L3MBTL1

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
US-7919614-B2 Disaccharide sequences formed by uronic acid and hexose as to form polysaccharides of 8-24 monosaccharide units whose hydroxyl groups are substituted by alkyl or sulphate groups; possible to modulate activities of glycosaminoglycans type SANOFI-AVENTIS (FR) 2011-04-05 — — US disclosed
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