SCHEMBL7774709

SCHEMBL7774709

CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.50
▸ HRAS P01112 1/20 0.46
▸ TACR2 P21452 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ MDM2 Q00987 2/20 0.44
▸ LGALS3 P17931 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HK1 P19367 1/20 0.42
▸ HK2 P52789 1/20 0.42
▸ LGALS8 O00214 1/20 0.42
▸ MDM4 O15151 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ LGALS7; LGALS7B P47929 2/20 0.42
▸ LGALS9 O00182 1/20 0.42
▸ LGALS1 P09382 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
SCHEMBL13491610 0.95 MAPK1 (0.48) MAPK1HRASTACR2TP53MDM2
SCHEMBL8822997 0.92 MAPK1 (0.58) MAPK1HRASLGALS3HK1HK2
SCHEMBL31134199 0.92 MAPK1 (0.58) MAPK1HRASLGALS3HK1HK2
SCHEMBL11170170 0.90 MAPK1 (0.65) MAPK1HRASTACR2LGALS3L3MBTL1
SCHEMBL1149280 0.89 HRAS (0.47) MAPK1HRASTACR2LGALS3L3MBTL1
SCHEMBL15516519 0.88 TP53 (0.55) TACR2TP53MDM2MDM4HSP90AA1
SCHEMBL12128062 0.88 TACR2 (0.45) HRASTACR2TP53MDM2LGALS3
SCHEMBL12127996 0.88 TACR2 (0.45) HRASTACR2TP53MDM2LGALS3
SCHEMBL9472134 0.88 MAPK1 (0.54) MAPK1HRASTACR2TP53MDM2
SCHEMBL6553315 0.86 LGALS3 (0.47) HRASTP53MDM2LGALS3L3MBTL1

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
EP-1131311-A1 2-ACYLAMINO-2-DEOXY-GLUCONO-1,5-LACTONES, METHOD FOR OBTAINING SAME, COMPOSITIONS COMPRISING THEM AND USES UNIVERSITE PIERRE ET MARIE CURIE PARIS VI (FR) 2001-09-12 — — EP disclosed
WO-2000031059-A1 2-ACYLAMINO-2-DEOXY-GLUCONO-1,5-LACTONES, METHOD FOR OBTAINING SAME, COMPOSITIONS COMPRISING THEM AND USES UNIVERSITE PIERRE ET MARIE CURIE (PARIS VI) (FR) 2000-06-02 — — WO disclosed
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