SCHEMBL9801065

SCHEMBL9801065

O=C(CCl)O[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(O)O[C@@H]1CO

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 2/20 0.44
▸ TACR2 P21452 1/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ PDPK1 O15530 2/20 0.40
▸ MTOR P42345 1/20 0.40
▸ TNF P01375 1/20 0.39
▸ PDE4D Q08499 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 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
▸ NT5E P21589 1/20 0.35
▸ PTPN1 P18031 2/20 0.34
▸ CDC25B P30305 2/20 0.34
▸ TK2 O00142 1/20 0.34

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
SCHEMBL9801070 1.00 LGALS8 (0.44) LGALS8TACR2SLC6A2PDPK1MTOR
SCHEMBL9801130 0.87 LGALS8 (0.41) LGALS8TACR2SLC6A2PDPK1MTOR
SCHEMBL28621829 0.86 LGALS8 (0.45) LGALS8TACR2SLC6A2PDPK1MTOR
SCHEMBL10600547 0.85 TACR2 (0.44) LGALS8TACR2SLC6A2PDPK1MTOR
SCHEMBL7155718 0.85 SLC6A2 (0.48) LGALS8TACR2SLC6A2PDPK1MTOR
SCHEMBL8156936 0.85 SLC6A2 (0.48) LGALS8TACR2SLC6A2PDPK1MTOR
SCHEMBL2048168 0.85 SLC6A2 (0.48) LGALS8TACR2SLC6A2PDPK1MTOR
SCHEMBL5985708 0.85 SLC6A2 (0.48) LGALS8TACR2SLC6A2PDPK1MTOR
SCHEMBL2783738 0.85 SLC6A2 (0.48) LGALS8TACR2SLC6A2PDPK1MTOR
SCHEMBL1118779 0.85 SLC6A2 (0.48) LGALS8TACR2SLC6A2PDPK1MTOR

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
US-4987223-A INTERMEDIATES FOR GLYCOSIDE ENZYME SUBSTRATES CHOAY S.A. (FR) 1991-01-22 — — US disclosed
US-4818816-A ANTICOAGULANT CHOAY, S.A. (FR) 1989-04-04 — — US disclosed
EP-0084999-B1 PROCESS FOR THE PREPARATION OF ORGANIC OLIGOSACCHARIDES, CORRESPONDING TO FRAGMENTS OF NATURAL MUCO-POLYSACCHARIDES, OLIGOSACCHARIDES OBTAINED AND THEIR BIOLOGICAL APPLICATIONS D.R.O.P.I.C. (Société Civile) (FR) 1988-04-13 — — EP disclosed
EP-0084999-A1 Process for the preparation of organic oligosaccharides, corresponding to fragments of natural muco-polysaccharides, oligosaccharides obtained and their biological applications D.R.O.P.I.C. (Société Civile) (FR) 1983-08-03 — — EP disclosed
EP-0082793-A1 Derivatives with a uronic acid structure, their preparation and their biological applications D.R.O.P.I.C. (Société Civile) (FR) 1983-06-29 — — EP disclosed
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