SCHEMBL11170198

SCHEMBL11170198

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAG P20916 1/20 0.49
▸ TP53 P04637 1/20 0.47
▸ MDM2 Q00987 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ LGALS3 P17931 2/20 0.46
▸ CD69 Q07108 1/20 0.46
▸ HRAS P01112 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ LGALS1 P09382 1/20 0.45
▸ LGALS7; LGALS7B P47929 1/20 0.45

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
SCHEMBL11494535 1.00 MAG (0.49) MAGTP53MDM2POLBLGALS3
SCHEMBL11170193 1.00 MAG (0.49) MAGTP53MDM2POLBLGALS3
SCHEMBL10704820 0.95 GJB2 (0.51) MAGTP53MDM2POLBLGALS3
SCHEMBL11161076 0.93 MAG (0.45) MAGTP53MDM2POLBLGALS3
SCHEMBL11293173 0.93 MAG (0.45) MAGTP53MDM2POLBLGALS3
SCHEMBL11161082 0.93 MAG (0.45) MAGTP53MDM2POLBLGALS3
SCHEMBL11173050 0.91 TP53 (0.51) MAGTP53MDM2POLBLGALS3
SCHEMBL11173059 0.91 TP53 (0.52) TP53MDM2POLB
SCHEMBL18241603 0.89 TP53 (0.53) MAGTP53MDM2POLB
SCHEMBL15514084 0.87 TP53 (0.55) TP53MDM2POLB

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-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
EP-0018901-A1 Immunologically active peptidyl disaccharides, methods of preparation and vaccine MERCK & CO. INC. (US) 1980-11-12 — — EP disclosed
Send feedback