SCHEMBL13296098

SCHEMBL13296098

CC(=O)NC1C(CO)OC(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.55
▸ MDM2 Q00987 2/20 0.55
▸ MDM4 O15151 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ HSP90AB1 P08238 1/20 0.52
▸ TACR2 P21452 3/20 0.47
▸ NT5E P21589 1/20 0.47
▸ BCHE P06276 1/20 0.47
▸ PTPN1 P18031 4/20 0.45
▸ CDC25B P30305 3/20 0.45
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SSTR4 P31391 1/20 0.43
▸ HTR1A P08908 1/20 0.43

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
SCHEMBL5840884 0.89 TP53 (0.55) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL13296075 0.89 TP53 (0.57) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL16967451 0.89 TP53 (0.55) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL15516519 0.89 TP53 (0.55) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL15514084 0.89 TP53 (0.55) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL24378386 0.89 TP53 (0.55) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL5840927 0.89 TP53 (0.55) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL13296082 0.89 TP53 (0.55) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL15973108 0.88 TP53 (0.55) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL15973107 0.88 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737287-B2 Anomeric derivatives of monosaccharides ALCHEMIA LIMITED (AU) 2010-06-15 — — US disclosed
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