SCHEMBL9850773

SCHEMBL9850773

C=C(C)C(=O)NCOC.C=CC(=O)NCOCC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35

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
SCHEMBL530483 0.94 THRB (0.40) THRBALDH1A1TSHRMAPK1TDP1
SCHEMBL5583852 0.89 THRB (0.43) THRBALDH1A1TSHR
SCHEMBL9647663 0.87 ZDHHC20 (0.42) THRBALDH1A1TSHRMAPK1TDP1
SCHEMBL34047 0.82
SCHEMBL150035 0.82 THRB (0.48) THRBALDH1A1TSHR
Acrylamide SCHEMBL28264539 0.81 THRB (0.40) THRBALDH1A1TSHRTDP1
SCHEMBL28264540 0.81 TDP1 (0.40) THRBALDH1A1TSHRMAPK1TDP1
SCHEMBL138455 0.79
SCHEMBL30806 0.79
SCHEMBL8996011 0.78 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1TDP1ZDHHC20

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-0438284-A1 Polymer emulsion SEQUA CHEMICALS INC. (US) 1991-07-24 EP disclosed