SCHEMBL9523641

SCHEMBL9523641

CC(C)(C)C[C@H](O)CC(O[SiH](c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.33
PPARA Q07869 9/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
SRR Q9GZT4 3/20 0.33
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
RIPK1 Q13546 1/20 0.30
PSAT1 Q9Y617 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL9115858 0.85 PPARG (0.32) PPARGPPARASRRMMEACE
SCHEMBL9735835 0.84 ADRB2 (0.32) ADRB2ADRB1ADRB3MMEACE
SCHEMBL9123975 0.82 TSHR (0.32) PPARGPPARASRRHPGD
SCHEMBL9123988 0.82 TSHR (0.32) PPARGPPARASRRHPGD
SCHEMBL9736778 0.78 ADRB2 (0.32) ADRB2ADRB1ADRB3MMEACE
SCHEMBL8629910 0.72 MME (0.32) PPARGPPARAMMEACECPA1
SCHEMBL16148756 0.72 KCNH2 (0.37) ALDH1A1MAPT
SCHEMBL2556823 0.72 EDNRB (0.33) PPARGPPARASRRRIPK1KDM4E
SCHEMBL17511793 0.72 RIPK1 (0.34) RIPK1
SCHEMBL7870039 0.71 KMT2A (0.37) ADRB2ADRB1ADRB3ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525106-A4 2',3'-DIDEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AGENTS 1993-04-21 EP disclosed
EP-0525106-A1 2',3'-DIDEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1993-02-03 EP disclosed
US-5128458-A 2',3'-dideoxy-4'-thioribonucleosides as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 1992-07-07 US disclosed
WO-1991016333-A1 2',3'-DIDEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1991-10-31 WO disclosed