SCHEMBL9644686

SCHEMBL9644686

CCC(CC)(CCP(=O)(O)O)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.41
GAA P10253 1/20 0.36
LPAR3 Q9UBY5 3/20 0.33
LPAR2 Q9HBW0 1/20 0.33
TYMS P04818 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL751990 0.80 GAA (0.34) GAA
SCHEMBL7636622 0.77 GAA (0.43) GAA
SCHEMBL144976 0.76 GAA (0.44) GAA
SCHEMBL28318222 0.75 GAA (0.41) GAA
SCHEMBL12776914 0.74 ALDH1A1 (0.41) GAA
SCHEMBL12776907 0.73 GAA (0.43) GAA
SCHEMBL7528968 0.72 ALDH1A1 (0.40) GAA
SCHEMBL12776906 0.69 ALDH1A1 (0.41) GAA
SCHEMBL11592267 0.69 GAA (0.38) GAA
SCHEMBL2044764 0.68 GGPS1 (0.46) LPAR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272446-B1 NOVEL ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1992-11-11 EP disclosed
US-5047533-A Viricides SRI INTERNATIONAL (US) 1991-09-10 US disclosed
EP-0309491-A1 ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1989-04-05 EP disclosed
EP-0145739-B1 NOVEL ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1989-02-08 EP disclosed
WO-1988005438-A1 ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1988-07-28 WO disclosed
EP-0274025-A2 Novel antiviral agents SRI INTERNATIONAL (US) 1988-07-13 EP disclosed
EP-0273169-A2 Novel antiviral agents SRI INTERNATIONAL (US) 1988-07-06 EP disclosed
EP-0272446-A1 Novel antiviral agents SRI INTERNATIONAL (US) 1988-06-29 EP disclosed
WO-1984004748-A2 NOVEL ANTIVIRAL AGENTS 1984-12-06 WO disclosed