SCHEMBL11150982

SCHEMBL11150982

COCCOCCOCCOCCO.COCN(C)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 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
Di(Hydroxyethyl)Ether SCHEMBL5500427 0.83 MEN1 (0.44) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL2718472 0.80
Di(Hydroxyethyl)Ether SCHEMBL29026583 0.78 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
Acetic Acid SCHEMBL2515140 0.78 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
Acetic Acid SCHEMBL2513783 0.78 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL5826298 0.77 BLM (0.38) TSHRALDH1A1
SCHEMBL5826288 0.77 BLM (0.38) TSHRALDH1A1
SCHEMBL5500429 0.76 CA2 (0.36) MEN1KMT2ATSHRTHRBALDH1A1
Tetraethylene Glycol SCHEMBL29252835 0.76 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL21775705 0.76 CA2 (0.36) MEN1KMT2ATSHRTHRBALDH1A1

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
US-4418545-A Reabsorption method for temperature transformation of heat and apparatus therefore MARKFORT DIETER (DE) 1983-12-06 US disclosed