SCHEMBL9523633

SCHEMBL9523633

CC(C)(C)[Si](OC[C@@H](O)CCC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
ADRB2 P07550 3/20 0.35
ADRB1 P08588 3/20 0.35
ADRB3 P13945 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
CPA3 P15088 1/20 0.35
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FOLH1 Q04609 2/20 0.33
TBXA2R P21731 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGDR Q13258 1/20 0.33
SMYD2 Q9NRG4 1/20 0.33

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
SCHEMBL8122701 1.00 GAA (0.36) GAAADRB2ADRB1ADRB3ALDH1A1
SCHEMBL8122702 1.00 GAA (0.36) GAAADRB2ADRB1ADRB3ALDH1A1
SCHEMBL7155286 0.90 CYP2D6 (0.37) ADRB2ADRB1ADRB3CYP1A2CYP2D6
SCHEMBL5026303 0.86 CYSLTR2 (0.37) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL5026306 0.86 CYSLTR2 (0.37) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL9735944 0.86 MMP12 (0.37) ADRB2ADRB1ADRB3ALDH1A1CYP2D6
SCHEMBL29064066 0.86 MMP12 (0.37) ADRB2ADRB1ADRB3ALDH1A1CYP2D6
SCHEMBL24312400 0.85 CYP2D6 (0.38) ADRB2ADRB1ADRB3CYP1A2CYP2D6
SCHEMBL8118693 0.85 ALDH1A1 (0.34) GAAALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL9115853 0.85 ALDH1A1 (0.34) GAAALDH1A1CYP1A2CYP2D6TSHR

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