SCHEMBL7774713

SCHEMBL7774713

CC(=O)N[C@H]1C(O)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.47
▸ MDM2 Q00987 2/20 0.47
▸ MDM4 O15151 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NT5E P21589 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ HRAS P01112 1/20 0.36
▸ TACR2 P21452 2/20 0.36
▸ TNF P01375 1/20 0.36
▸ TYMP P19971 1/20 0.35
▸ SSTR4 P31391 1/20 0.35

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
SCHEMBL11170361 0.91 MAPK1 (0.50) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL15516519 0.86 TP53 (0.55) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL7227900 0.84 POLB (0.43) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL7774709 0.84 MAPK1 (0.50) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL16965886 0.82 SSTR1 (0.40) NT5ETACR2TNFTYMPSSTR4
SCHEMBL17435236 0.82 HK1 (0.47) MAPK1HRASTYMP
SCHEMBL20608732 0.82 HK1 (0.47) MAPK1HRASTYMP
SCHEMBL13491610 0.80 MAPK1 (0.48) TP53MDM2POLBL3MBTL1MAPK1
SCHEMBL10409434 0.80 HTR1A (0.44) NT5EBCHETACR2TYMPSSTR4
SCHEMBL10409432 0.80 HTR1A (0.44) NT5EBCHETACR2TYMPSSTR4

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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