SCHEMBL4733112

SCHEMBL4733112

CC(O)COC(=O)C(C)OC(=O)C(C)O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.32
TP53 P04637 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
SCHEMBL24414542 0.84 MAPT (0.47) MAPTTSHRMAPK1HSD17B10TP53
SCHEMBL24414476 0.84 MAPT (0.47) MAPTTSHRMAPK1HSD17B10TP53
SCHEMBL447235 0.84 MAPT (0.47) MAPTTSHRMAPK1HSD17B10TP53
SCHEMBL24414494 0.84 MAPT (0.47) MAPTTSHRMAPK1HSD17B10TP53
SCHEMBL24414470 0.84 MAPT (0.47) MAPTTSHRMAPK1HSD17B10TP53
SCHEMBL24414506 0.84 MAPT (0.47) MAPTTSHRMAPK1HSD17B10TP53
SCHEMBL15249292 0.83 ALDH1A1 (0.33)
SCHEMBL821336 0.82 TP53 (0.33) TP53
SCHEMBL19654576 0.82 TP53 (0.33) TP53
SCHEMBL4729415 0.82 KDM4E (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008057220-A2 APPLICATIONS OF BIOBASED GLYCOL COMPOSITIONS ARCHER-DANIELS-MIDLAND COMPANY (US) 2008-05-15 WO disclosed
US-20080103340-A1 APPLICATIONS OF BIOBASED GLYCOL COMPOSITIONS ARCHER-DANIELS-MIDLAND COMPANY (US) 2008-05-01 US disclosed