SCHEMBL9434778

SCHEMBL9434778

CC(C)(C)OC(=O)N(CCCCCCl)OCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.78
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL9434959 0.90 L3MBTL1 (0.78) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL9781776 0.90 L3MBTL1 (0.78) L3MBTL1
SCHEMBL8863680 0.89 L3MBTL1 (0.76) L3MBTL1
SCHEMBL8899583 0.88 L3MBTL1 (0.76) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL6629239 0.87 L3MBTL1 (0.73) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL13823926 0.86 L3MBTL1 (0.72) L3MBTL1
SCHEMBL1751139 0.85 L3MBTL1 (0.71) L3MBTL1
SCHEMBL1751201 0.84 L3MBTL1 (0.69) L3MBTL1
SCHEMBL8300753 0.84 L3MBTL1 (0.69) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL30945299 0.84 L3MBTL1 (0.69) L3MBTL1HDAC3HDAC1HDAC2NCOR2

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-1994011367-A1 2-(PYRID-2'-YL)-2-THIAZOLINE-4(S)-CARBOXYLIC ACID DERIVATIVES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INC. (US) 1994-05-26 WO disclosed