SCHEMBL27845166

SCHEMBL27845166

CCN(CC)C(O)(CC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR3 O14843 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
SCHEMBL5177477 0.87 ALDH1A1 (0.31) ALDH1A1TSHRMEN1CYP1A2THRB
SCHEMBL28537764 0.79 TET2 (0.33) ALDH1A1TSHR
SCHEMBL6562039 0.77 ALDH1A1 (0.37) ALDH1A1TSHRMEN1CYP1A2THRB
SCHEMBL159570 0.74 ALDH1A1 (0.40) ALDH1A1TSHRFFAR3
SCHEMBL4667933 0.73 ALDH1A1 (0.33) ALDH1A1TSHRMEN1CYP1A2THRB
Ammonia Solution, Strong SCHEMBL2553842 0.72 GAA (0.39) ALDH1A1CYP1A2
SCHEMBL4439902 0.72 TDP1 (0.50) TSHR
Acetic Acid SCHEMBL28443277 0.72 FFAR3 (0.37) ALDH1A1TSHRFFAR3
SCHEMBL29619903 0.72 TSHR (0.43) ALDH1A1TSHRFFAR3
SCHEMBL16245086 0.71 ALDH1A1 (0.33) ALDH1A1TSHRMEN1CYP1A2THRB

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
CN-101400708-B Process for purifying resorbable polymers from residual monomers PURAC BIOCHEM B.V. (NL) 2012-02-01 CN disclosed