SCHEMBL9324299

SCHEMBL9324299

C=C(C)C(=O)OCCN(CCO)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL5360846 0.93 THRB (0.48) THRBTSHRALDH1A1TDP1POLB
SCHEMBL9360239 0.86 THRB (0.46) THRBTSHRALDH1A1TDP1POLB
Succinic Acid SCHEMBL27992782 0.85 THRB (0.42) THRBTSHRALDH1A1TDP1POLB
SCHEMBL9748896 0.85 THRB (0.42) THRBTSHRALDH1A1TDP1POLB
SCHEMBL8982465 0.85 THRB (0.44) THRBTSHRALDH1A1TDP1POLB
SCHEMBL19951567 0.84 THRB (0.41) THRBTSHRALDH1A1TDP1POLB
SCHEMBL9747740 0.83 THRB (0.44) THRBTSHRALDH1A1POLB
SCHEMBL19951568 0.82 THRB (0.42) THRBTSHRALDH1A1TDP1POLB
SCHEMBL19951577 0.81 THRB (0.39) THRBTSHRALDH1A1TDP1POLB
SCHEMBL19952790 0.81 TSHR (0.41) THRBTSHRALDH1A1TDP1POLB

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