SCHEMBL27960966

SCHEMBL27960966

CC(C)COC(=O)C(N)CO

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.43
▸ ALDH1A1 P00352 2/20 0.39
▸ SLC7A5 Q01650 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL16086739 1.00 TSHR (0.43) TSHRALDH1A1SLC7A5SMN1; SMN2SLC1A3
SCHEMBL27960965 1.00 TSHR (0.43) TSHRALDH1A1SLC7A5SMN1; SMN2SLC1A3
SCHEMBL28187811 0.83 TSHR (0.41) TSHRALDH1A1SLC7A5SMN1; SMN2SLC1A3
SCHEMBL61007 0.83 TSHR (0.41) TSHRALDH1A1SLC7A5SMN1; SMN2SLC1A3
SCHEMBL7752717 0.83 PRKCA (0.33) SLC7A5SLC1A3SLC1A2
SCHEMBL7752719 0.83 PRKCA (0.33) SLC7A5SLC1A3SLC1A2
SCHEMBL4762688 0.82 SLC7A5 (0.54) TSHRALDH1A1SLC7A5SLC1A3SLC1A2
SCHEMBL563054 0.82 TSHR (0.48) TSHRALDH1A1SLC7A5SMN1; SMN2SLC1A3
SCHEMBL21673199 0.82 TSHR (0.43) TSHRALDH1A1SLC7A5SMN1; SMN2SLC1A3
SCHEMBL7359844 0.82 SLC7A5 (0.54) TSHRALDH1A1SLC7A5SLC1A3SLC1A2

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-103882074-A Method for synthesizing nucleoside amino acid derivative through enzyme catalysis SHANGHAI DESANO CHEMICAL PHARM 2014-06-25 — — CN disclosed
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