SCHEMBL6561741

SCHEMBL6561741

C=C(O)COC(=O)C(C)=CC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
THRB P10828 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
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
SCHEMBL4894534 0.84 TSHR (0.34) TSHRMEN1KMT2ATHRBCYP2D6
SCHEMBL4894530 0.84 TSHR (0.34) TSHRMEN1KMT2ATHRBCYP2D6
SCHEMBL28447552 0.82 TSHR (0.40) TSHRMEN1KMT2ATHRBCYP2D6
SCHEMBL1047543 0.79 TSHR (0.52) TSHRTHRBALDH1A1
SCHEMBL7856312 0.78 TSHR (0.32) TSHRTHRBALDH1A1
SCHEMBL10914397 0.77 MEN1 (0.32) MEN1KMT2A
SCHEMBL10914398 0.77 MEN1 (0.32) MEN1KMT2A
SCHEMBL10914400 0.77 MEN1 (0.32) MEN1KMT2A
SCHEMBL20985009 0.77
SCHEMBL29129607 0.77 GRIK1 (0.35) MEN1KMT2A

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
EP-1134212-B1 Production process for hydroxyalkyl(meth)acrylate NIPPON CATALYTIC CHEM IND (JP) 2004-04-28 EP disclosed