SCHEMBL8966786

SCHEMBL8966786

C=C(CCCOCCOCCOCCO)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 3/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.34
TBXAS1 P24557 2/20 0.33
ALDH1A1 P00352 1/20 0.30
CAMK2A Q9UQM7 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
SCHEMBL2796019 1.00 MEN1 (0.44) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1874982 0.98 TSHR (0.42) MEN1KMT2ATHRBHTTMAPT
Di(Hydroxyethyl)Ether SCHEMBL6990322 0.90 TSHR (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL11126565 0.89 TSHR (0.39) TSHRGAATBXAS1ALDH1A1
SCHEMBL9062589 0.88 MEN1 (0.48) MEN1KMT2ATHRBHTTMAPT
Di(Hydroxyethyl)Ether SCHEMBL8815476 0.85 TSHR (0.46) MEN1KMT2ATHRBHTTMAPT
SCHEMBL585948 0.85 TSHR (0.46) MEN1KMT2ATHRBHTTMAPT
Di(Hydroxyethyl)Ether SCHEMBL26090179 0.85 TSHR (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL985177 0.82 TSHR (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL33661 0.82 THRB (0.44) THRBTSHRALDH1A1

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
EP-0530402-B1 Thermocurable reactive adhesive HUBER+SUHNER AG (CH) 1996-03-06 EP disclosed
EP-0530402-A1 Thermocurable reactive adhesive HUBER & SUHNER AG (CH) 1993-03-10 EP disclosed