SCHEMBL875145

SCHEMBL875145

C=CCCCC=CCOCCOCCOCCOCCO

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
EPHX2 P34913 1/20 0.33
LPAR3 Q9UBY5 2/20 0.31
LPAR2 Q9HBW0 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
SCHEMBL875224 1.00 MEN1 (0.41) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL876089 1.00 MEN1 (0.41) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL876101 1.00 MEN1 (0.41) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL874849 1.00 MEN1 (0.41) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL318539 0.96 TSHR (0.35) MEN1KMT2ATSHRMAPK1LPAR3
SCHEMBL318538 0.96 TSHR (0.35) MEN1KMT2ATSHRMAPK1LPAR3
SCHEMBL10536751 0.88 TSHR (0.35) MEN1KMT2ATSHRLPAR3LPAR2
SCHEMBL823800 0.87 MEN1 (0.44) MEN1KMT2ATSHRMAPK1THRB
Ethylene Glycol SCHEMBL10536746 0.84 ALDH1A1 (0.32) TSHRMAPTLPAR3LPAR2
Di(Hydroxyethyl)Ether SCHEMBL27680359 0.84 TSHR (0.53) MEN1KMT2ATSHRMAPK1THRB

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-2012038197-A1 COATING AGENT HAVING (METH)ACRYLIC POLYMERS AND COALESCENCE ADDITIVES EVONIK RÖHM GMBH (DE) 2012-03-29 WO disclosed