SCHEMBL6686680

SCHEMBL6686680

CCC(OC(C)=O)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 5/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 3/20 0.38
DHODH Q02127 1/20 0.38
STAT3 P40763 1/20 0.37
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARG P37231 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL890842 0.85 GAA (0.45) KMT2AGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL24806482 0.84 MAPK1 (0.40) LMNAMAPK1KMT2AGAAALDH1A1
SCHEMBL17968331 0.83 NPSR1 (0.37) LMNAMAPK1KMT2AGAAALDH1A1
SCHEMBL8378760 0.80 ALDH1A1 (0.40) LMNAKMT2AGAAALDH1A1RECQL
SCHEMBL23249702 0.80 LMNA (0.40) LMNAMAPK1KMT2AGAAALDH1A1
SCHEMBL23249700 0.80 LMNA (0.40) LMNAMAPK1KMT2AGAAALDH1A1
SCHEMBL5473718 0.79 STAT3 (0.41) LMNAMAPK1KMT2AGAAALDH1A1
SCHEMBL5473721 0.79 STAT3 (0.41) LMNAMAPK1KMT2AGAAALDH1A1
SCHEMBL5473716 0.79 STAT3 (0.41) LMNAMAPK1KMT2AGAAALDH1A1
SCHEMBL13433912 0.78 KMT2A (0.40) LMNAKMT2AGAAALDH1A1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004097026-A1 THE ENZYMATIC METHOD OF MAKING 1,2-DIOL DERIVATIVES AND THEIR ESTERS ENZYTECH, LTD. (KR) 2004-11-11 WO disclosed