SCHEMBL8831490

SCHEMBL8831490

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TACR2 P21452 3/20 0.40
▸ NT5E P21589 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ LGALS3 P17931 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ CDC25B P30305 1/20 0.38
▸ TNF P01375 1/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ BCHE P06276 1/20 0.36

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
SCHEMBL8831484 0.92 LGALS3 (0.42) LMNAPOLBKMT2AALDH1A1CYP2D6
SCHEMBL9332848 0.87 LMNA (0.52) LMNAPOLBKMT2AALDH1A1CYP2D6
SCHEMBL24804649 0.87 LMNA (0.52) LMNAPOLBKMT2AALDH1A1CYP2D6
SCHEMBL9332856 0.87 LMNA (0.52) LMNAPOLBKMT2AALDH1A1CYP2D6
SCHEMBL29865166 0.87 LMNA (0.52) LMNAPOLBKMT2AALDH1A1CYP2D6
SCHEMBL6553247 0.86 TNF (0.42) LMNAPOLBKMT2AALDH1A1CYP2D6
SCHEMBL6553250 0.86 TNF (0.42) LMNAPOLBKMT2AALDH1A1CYP2D6
SCHEMBL6553337 0.85 CYP3A4 (0.41) LMNAPOLBKMT2AALDH1A1CYP2D6
SCHEMBL6553329 0.85 CYP3A4 (0.41) LMNAPOLBKMT2AALDH1A1CYP2D6
SCHEMBL6553532 0.85 TSHR (0.41) LMNAPOLBKMT2AALDH1A1CYP2D6

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
Send feedback