SCHEMBL21291224

SCHEMBL21291224

C#CCOCCOCCNC(=O)CCC(CCC(=O)NCCOCCOCC#C)(CCC(=O)NCCOCCOCC#C)NO

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA4 P22748 4/20 0.33
CA9 Q16790 4/20 0.33
CA14 Q9ULX7 4/20 0.33
ALDH1A1 P00352 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL25344800 0.86 TSHR (0.40) TSHRL3MBTL1CA12CA1CA2
SCHEMBL23178855 0.85 TSHR (0.36) TSHRL3MBTL1CA12CA1CA2
SCHEMBL21290612 0.84 TSHR (0.39) TSHRL3MBTL1CA12CA1CA2
SCHEMBL24916769 0.84 TSHR (0.39) TSHRL3MBTL1CA12CA1CA2
SCHEMBL21290628 0.83 L3MBTL1 (0.39) TSHRL3MBTL1CA12CA1CA2
SCHEMBL24759076 0.82 TSHR (0.36) TSHRL3MBTL1CA12CA1CA2
SCHEMBL21291226 0.81 L3MBTL1 (0.44) TSHRL3MBTL1ALDH1A1TAAR1MEN1
SCHEMBL24840970 0.81 L3MBTL1 (0.38) TSHRL3MBTL1CA12CA1CA2
SCHEMBL24588486 0.81 L3MBTL1 (0.45) TSHRL3MBTL1
SCHEMBL21290595 0.81 GAA (0.36) TSHRL3MBTL1

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-2019161213-A1 TRIALKYNE LINKING AGENTS AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2019-08-22 WO disclosed