SCHEMBL11173050

SCHEMBL11173050

CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2NC(C)=O)[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.51
▸ MDM2 Q00987 2/20 0.51
▸ MDM4 O15151 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ HSP90AB1 P08238 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ NT5E P21589 1/20 0.46
▸ PTPN1 P18031 6/20 0.45
▸ CDC25B P30305 5/20 0.45
▸ GJB2 P29033 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LGALS3 P17931 1/20 0.45
▸ TACR2 P21452 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAG P20916 1/20 0.44
▸ PTPN2 P17706 2/20 0.44
▸ PTPN6 P29350 2/20 0.44
▸ PTPN11 Q06124 2/20 0.44

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
SCHEMBL11173059 0.94 TP53 (0.52) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL18241603 0.92 TP53 (0.53) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL5840927 0.92 TP53 (0.55) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL16967451 0.92 TP53 (0.55) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL5840884 0.92 TP53 (0.55) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL15514084 0.92 TP53 (0.55) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL11494535 0.91 MAG (0.49) TP53MDM2POLBLGALS3MAG
SCHEMBL11170198 0.91 MAG (0.49) TP53MDM2POLBLGALS3MAG
SCHEMBL11170193 0.91 MAG (0.49) TP53MDM2POLBLGALS3MAG
SCHEMBL7582210 0.89 TP53 (0.55) TP53MDM2MDM4HSP90AA1HSP90AB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4391800-A Immunologically active peptidyl disaccharides and methods of preparation MERCK & CO., INC. (US) 1983-07-05 — — US disclosed
EP-0018901-B1 IMMUNOLOGICALLY ACTIVE PEPTIDYL DISACCHARIDES, METHODS OF PREPARATION AND VACCINE MERCK & CO. INC. (US) 1982-12-15 — — EP disclosed
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