SCHEMBL8831484

SCHEMBL8831484

CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 1/20 0.42
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TACR2 P21452 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP2D6 P10635 3/20 0.38
▸ SSTR5 P35346 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ LGALS8 O00214 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SSTR1 P30872 1/20 0.36
▸ SSTR2 P30874 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ SSTR3 P32745 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ TNF P01375 1/20 0.35

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
SCHEMBL8831490 0.92 LMNA (0.41) LGALS3POLBLMNATACR2KMT2A
SCHEMBL8398623 0.89 LGALS3 (0.39) LGALS3POLBLMNATACR2KMT2A
SCHEMBL8398629 0.89 LGALS3 (0.39) LGALS3POLBLMNATACR2KMT2A
SCHEMBL25736465 0.84 LMNA (0.48) LGALS3POLBLMNAKMT2ACYP2D6
SCHEMBL24804649 0.84 LMNA (0.52) POLBLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL9332856 0.84 LMNA (0.52) POLBLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL9332848 0.84 LMNA (0.52) POLBLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL29865166 0.84 LMNA (0.52) POLBLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL16633056 0.83 LGALS3 (0.46) LGALS3TACR2MAPK1SSTR4SLC6A2
SCHEMBL8699189 0.82 TSHR (0.50) POLBLMNAKMT2ACYP2D6TSHR

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-5646123-A Time dependent administration of oligosaccharide glycosides related to blood group determinants having a type I or type II core structure in reducing inflammation in a sensitized mammal arising form exposure to an antigen ALBERTA RESEARCH COUNCIL (CA) 1997-07-08 — — US disclosed
US-5580858-A Immunosuppressive and tolerogenic modified Lewisx compounds ALBERTA RESEARCH COUNCIL (CA) 1996-12-03 — — US disclosed
WO-1993024505-A1 REDUCING INFLAMMATION BY TIME DEPENDENT ADMINISTRATION OF OLIGOSACCHARIDES GLYCOSIDES RELATED TO BLOOD GROUP DETERMINANTS ALBERTA RESEARCH COUNCIL (CA) 1993-12-09 — — WO disclosed
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