SCHEMBL8911020

SCHEMBL8911020

CC(=O)OCO[C@H](COC(=O)C(C)(C)C)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
LMNA P02545 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
PRKCA P17252 1/20 0.35
STAT3 P40763 2/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8911997 0.90 HTT (0.38) HTTUSP2ALOX15TSHRNPSR1
SCHEMBL9194094 0.83 STAT3 (0.38) LMNACYP3A4CYP2C9CYP2C19GAA
SCHEMBL9191254 0.83 STAT3 (0.38) LMNACYP3A4CYP2C9CYP2C19GAA
SCHEMBL7153072 0.83 STAT3 (0.38) LMNACYP3A4CYP2C9CYP2C19GAA
SCHEMBL8911992 0.79 STAT3 (0.40) HTTUSP2ALOX15TSHRNPSR1
SCHEMBL9019756 0.78 PRKCA (0.53) LMNAPRKCAALDH1A1TDP1AR
SCHEMBL7386406 0.77 HTT (0.46) HTTUSP2ALOX15TSHRNPSR1
SCHEMBL28173887 0.76 STAT3 (0.47) LMNACYP3A4CYP2C9CYP2C19GAA
SCHEMBL13752124 0.75 KMT2A (0.38) HTTUSP2ALOX15TSHRNPSR1
SCHEMBL8423991 0.75 STAT3 (0.44) LMNAGAAMAPK1STAT3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35558-E (2R)-2-[di(2-propyl)phosphonyylmethoxy]-3-P-toluenesulfonyloxy-1-trimethylacetoxypropane, its preparation and use INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1997-07-08 US claimed
US-5130427-A Viricides formed by etherification, esterification and reaction with a phosphonate containing compound CESKOSLOVENSKA AKADEMIE VED (CS) 1992-07-14 US claimed
EP-0470809-A1 Antiviral nucleosides, compounds useful in their preparation and processes of making them Ceskoslovenska akademie ved (CS) 1992-02-12 EP claimed
US-RE35558-E (2R)-2-[di(2-propyl)phosphonyylmethoxy]-3-P-toluenesulfonyloxy-1-trimethylacetoxypropane, its preparation and use INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1997-07-08 US disclosed
US-5130427-A Viricides formed by etherification, esterification and reaction with a phosphonate containing compound CESKOSLOVENSKA AKADEMIE VED (CS) 1992-07-14 US disclosed
EP-0470809-A1 Antiviral nucleosides, compounds useful in their preparation and processes of making them Ceskoslovenska akademie ved (CS) 1992-02-12 EP disclosed