SCHEMBL1270657

SCHEMBL1270657

CCOC(=O)C(C)=COCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
GLO1 Q04760 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL28972581 0.90 ALDH1A1 (0.59) ALDH1A1TP53CYP3A4
SCHEMBL28534705 0.89 ALDH1A1 (0.57) ALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL11473802 0.88 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL27923994 0.83 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL466067 0.81 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL466068 0.81 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4SMN1; SMN2
Alcohol SCHEMBL28770112 0.80 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL4628925 0.80 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL19447665 0.78 GLO1 (0.50) ALDH1A1GLO1NPSR1SMN1; SMN2LMNA
SCHEMBL222772 0.78 GLO1 (0.50) ALDH1A1GLO1NPSR1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3479899-B1 SULFONAMIDE BASED ANION EXCHANGE RESINS DIONEX CORP (US) 2022-06-01 EP disclosed
US-20210308599-A1 SULFONAMIDE BASED ANION EXCHANGE RESINS DIONEX CORPORATION 2021-10-07 US disclosed
EP-3479899-A1 SULFONAMIDE BASED ANION EXCHANGE RESINS Dionex Corporation (US) 2019-05-08 EP disclosed
US-20190126167-A1 SULFONAMIDE BASED ANION EXCHANGE RESINS DIONEX CORPORATION 2019-05-02 US disclosed
EP-2279034-A1 FUNCTIONALIZED SUBSTRATES WITH ION-EXCHANGE PROPERTIES DIONEX CORPORATION (US) 2011-02-02 EP disclosed
WO-2009137275-A1 FUNCTIONALIZED SUBSTRATES WITH ION-EXCHANGE PROPERTIES DIONEX CORPORATION (US) 2009-11-12 WO disclosed