SCHEMBL11293173

SCHEMBL11293173

C=CCO[C@@H]1[C@@H](NC(C)=O)[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAG P20916 1/20 0.45
▸ POLB P06746 2/20 0.42
▸ LGALS3 P17931 2/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ CHIA Q9BZP6 1/20 0.42
▸ HRAS P01112 1/20 0.42
▸ CD69 Q07108 1/20 0.42
▸ LGALS9 O00182 1/20 0.41
▸ LGALS7; LGALS7B P47929 1/20 0.41

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
SCHEMBL11161076 1.00 MAG (0.45) MAGPOLBLGALS3SLC6A2TP53
SCHEMBL11161082 1.00 MAG (0.45) MAGPOLBLGALS3SLC6A2TP53
SCHEMBL11170193 0.93 MAG (0.49) MAGPOLBLGALS3TP53MDM2
SCHEMBL11494535 0.93 MAG (0.49) MAGPOLBLGALS3TP53MDM2
SCHEMBL11170198 0.93 MAG (0.49) MAGPOLBLGALS3TP53MDM2
SCHEMBL11171739 0.91 TP53 (0.47) POLBTP53MDM2
SCHEMBL11171744 0.91 TP53 (0.47) POLBTP53MDM2
SCHEMBL10704820 0.88 GJB2 (0.51) MAGPOLBLGALS3SLC6A2TP53
SCHEMBL965417 0.87 TP53 (0.49) POLBTP53MDM2
SCHEMBL965416 0.87 TP53 (0.49) POLBTP53MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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