SCHEMBL8911992

SCHEMBL8911992

Cc1ccc(S(=O)(=O)OC[C@H](O)COC(=O)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.40
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
ELANE P08246 1/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
GAA P10253 1/20 0.35
CA1 P00915 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
SCHEMBL140992 0.85 STAT3 (0.46) STAT3ALDH1A1KMT2AMEN1CTDSP1
SCHEMBL9466040 0.82 KMT2A (0.41) STAT3TSHRALDH1A1KMT2AADRB2
SCHEMBL9466046 0.82 KMT2A (0.41) STAT3TSHRALDH1A1KMT2AADRB2
SCHEMBL13752124 0.82 KMT2A (0.38) STAT3USP2ALOX15TSHRHTT
SCHEMBL11461354 0.82 ALDH1A1 (0.41) STAT3ALDH1A1KMT2AMEN1TDP1
SCHEMBL7386406 0.81 HTT (0.46) STAT3USP2ALOX15TSHRHTT
SCHEMBL8911997 0.80 HTT (0.38) STAT3USP2ALOX15TSHRHTT
SCHEMBL3885972 0.80 ALDH1A1 (0.41) STAT3ALDH1A1KMT2AMEN1CTDSP1
SCHEMBL3885977 0.80 ALDH1A1 (0.41) STAT3ALDH1A1KMT2AMEN1CTDSP1
SCHEMBL26303222 0.80 STAT3 (0.43) STAT3USP2ALOX15TSHRHTT

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