SCHEMBL8831093

SCHEMBL8831093

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.60
▸ LMNA P02545 3/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ ALDH1A1 P00352 4/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ MDM2 Q00987 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP2D6 P10635 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TACR2 P21452 1/20 0.42
▸ MDM4 O15151 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ NT5E P21589 1/20 0.40

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
SCHEMBL8831084 0.91 POLB (0.57) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL7582210 0.88 TP53 (0.55) POLBLMNAKMT2ATP53MDM2
SCHEMBL8931470 0.86 POLB (0.79) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL21097453 0.86 POLB (0.79) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL8931476 0.86 POLB (0.79) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL10604737 0.86 POLB (0.59) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL10604734 0.86 POLB (0.59) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL19646384 0.86 POLB (0.54) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL6810337 0.85 POLB (0.55) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL5840884 0.85 TP53 (0.55) POLBLMNAKMT2ATP53MDM2

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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