SCHEMBL6229352

SCHEMBL6229352

O=C(OCc1ccccc1)C(CO)(CO)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
PTPN1 P18031 3/20 0.52
PTPRC P08575 1/20 0.52
LMNA P02545 3/20 0.49
HCAR2 Q8TDS4 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL6108042 0.83 ALDH1A1 (0.58) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL27549918 0.81 ALDH1A1 (0.52) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL27168694 0.81 ALDH1A1 (0.52) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL846938 0.81 ALDH1A1 (0.56) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL621696 0.81 ALDH1A1 (0.56) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL1555294 0.81 PTPN1 (0.61) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL28004291 0.80 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL2032918 0.80 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL5603445 0.80 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL16369941 0.80 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AMAPK1L3MBTL1

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
US-5932747-A Method for preparing 1,3-dioxane compounds HUELS AKTIENGESELLSCHAFT (DE) 1999-08-03 US claimed
EP-0866065-B1 Process for the preparation of 1,3-dioxane compounds DEGUSSA (DE) 2005-04-13 EP disclosed
US-5932747-A Method for preparing 1,3-dioxane compounds HUELS AKTIENGESELLSCHAFT (DE) 1999-08-03 US disclosed
EP-0866065-A1 Process for the preparation of 1,3-dioxane compounds HÜLS AKTIENGESELLSCHAFT (DE) 1998-09-23 EP disclosed