SCHEMBL10071804

SCHEMBL10071804

C=C(O)COCCOCCOCC(=C)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 3/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL21251395 0.87
SCHEMBL12643318 0.87
SCHEMBL26305313 0.87 CA2 (0.32)
SCHEMBL1682464 0.82
SCHEMBL9375683 0.81
SCHEMBL7688091 0.79
SCHEMBL27947117 0.79
SCHEMBL620407 0.75 HSD17B10 (0.52) MEN1KMT2AMAPK1HSD17B10
SCHEMBL7685539 0.75
Ethylene Glycol SCHEMBL9377213 0.73 TSHR (0.33) MEN1KMT2ATSHRMAPK1

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-2012046008-A2 MATERIALS AND METHODS FOR INCREASING HSP20 ACTIVITY THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2012-04-12 WO disclosed