SCHEMBL19257403

SCHEMBL19257403

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ GAA P10253 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ PPARG P37231 1/20 0.31
▸ NCOA2 Q15596 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KDM4E B2RXH2 2/20 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
SCHEMBL22703844 0.85 TSHR (0.37) TSHRALDH1A1CA12CA1CA2
SCHEMBL28225850 0.82 TSHR (0.41) TSHRALDH1A1CA12CA1CA2
SCHEMBL19594830 0.81 TSHR (0.43) TSHRALDH1A1CA12CA1CA2
SCHEMBL27101905 0.79 TSHR (0.48) TSHRALDH1A1CA12CA1CA2
SCHEMBL8912516 0.79 CA12 (0.55) ALDH1A1CA12CA1CA2CA9
SCHEMBL27101906 0.78 MAOA (0.35) TSHR
SCHEMBL23065597 0.78 TSHR (0.41) TSHRALDH1A1CA12CA1CA2
SCHEMBL16782927 0.75 TSHR (0.42) TSHRALDH1A1CA12CA1CA2
SCHEMBL26778457 0.75 TSHR (0.42) TSHRALDH1A1TDP1L3MBTL1MAPT
SCHEMBL29587773 0.74 TSHR (0.38) TSHRALDH1A1CA12CA1CA2

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
WO-2017138855-A1 METHOD FOR PREPARATION OF LIRAGLUTIDE USING BAL LINKER POLYPEPTIDE LABORATORIES HOLDING (PPL) AB (SE) 2017-08-17 — — WO disclosed
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