SCHEMBL9324315

SCHEMBL9324315

C=C(C)C(=O)OCCN(CCO)C(=O)NCCO

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.38
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL275291 0.91 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL23478291 0.87 THRB (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9360239 0.81 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17646111 0.80 TSHR (0.35) THRBTSHR
SCHEMBL8982465 0.80 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9324299 0.78 THRB (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL691955 0.77 ALDH1A1 (0.41) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21668747 0.77 TSHR (0.45) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12169105 0.77 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17485796 0.75 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1

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-0584275-A1 FLEXOGRAPHIC PRINTING PLATE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-03-02 EP disclosed
WO-1992021068-A1 FLEXOGRAPHIC PRINTING PLATE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-11-26 WO disclosed