SCHEMBL8977369

SCHEMBL8977369

C=C(COCCOCCOCCOCCOCCOCCOCCOCCO)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 5/20 0.43
MAPK1 P28482 1/20 0.43
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.32
TET2 Q6N021 3/20 0.31
HSD17B10 Q99714 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
TET3 O43151 1/20 0.31
TET1 Q8NFU7 1/20 0.31
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRM1 Q13255 1/20 0.30
GRM2 Q14416 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL6034724 1.00 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3208895 1.00 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL277984 0.96 TSHR (0.41) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL9062589 0.83 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9420314 0.81 ALDH1A1 (0.35) MEN1KMT2ATSHRTHRBALDH1A1
SCHEMBL585948 0.80 TSHR (0.46) MEN1KMT2ATSHRMAPK1THRB
Di(Hydroxyethyl)Ether SCHEMBL8815476 0.80 TSHR (0.46) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL2796019 0.79 MEN1 (0.44) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL8966786 0.79 MEN1 (0.44) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3286421 0.78 ALDH1A1 (0.35) TSHRTHRBALDH1A1TET2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556708-A ADDITION-CONDENSATION GRAFT COPOLYMERIZATION IN WATER IN CARBON TETRACHLORIDE WITH A REDUCING AGENT SARTORIUS AG (DE) 1996-09-17 US disclosed
US-5547575-A GRAFTING WITH UNSATURATED MONOMER USING SODIUM DITHIONATE IN AQUEOUS SOLUTION SARTORIUS AG (DE) 1996-08-20 US disclosed
US-5215692-A Halogenation; dehalogenation; reduction SARTORIUS AG (DE) 1993-06-01 US disclosed