SCHEMBL9434878

SCHEMBL9434878

CC(=O)N(CCCCCCl)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.53
ALDH1A1 P00352 2/20 0.44
ALOX5 P09917 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MAOB P27338 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
SCHEMBL9775314 0.87 L3MBTL1 (0.52) L3MBTL1ALDH1A1
Beloxamide SCHEMBL636320 0.85 L3MBTL1 (0.49) L3MBTL1ALDH1A1ALOX5
SCHEMBL23616321 0.85 L3MBTL1 (0.49) L3MBTL1ALDH1A1
SCHEMBL9434778 0.82 L3MBTL1 (0.78) L3MBTL1
SCHEMBL9434959 0.82 L3MBTL1 (0.78) L3MBTL1
SCHEMBL9775369 0.82 L3MBTL1 (0.47) L3MBTL1ALDH1A1
SCHEMBL16352173 0.80 CETP (0.46) L3MBTL1ALDH1A1
SCHEMBL16352111 0.80 L3MBTL1 (0.45) L3MBTL1ALDH1A1ALOX5PTGS1PTGS2
SCHEMBL16352084 0.80 L3MBTL1 (0.45) L3MBTL1ALDH1A1
SCHEMBL16471969 0.78 L3MBTL1 (0.57) L3MBTL1

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