SCHEMBL5177631

SCHEMBL5177631

NC(OCCO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
KCNH2 Q12809 2/20 0.39
SCN4A P35499 1/20 0.38

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
SCHEMBL5506617 0.83 LMNA (0.42) ALDH1A1ADRA2AADRA2CLMNAHIF1A
SCHEMBL4556683 0.78 SCN1A (0.57) ADRA2ALMNAKDM4ESLC6A2SLC6A4
SCHEMBL7120235 0.78 ALDH1A1 (0.46) ALDH1A1RECQLADRA2ALMNAKDM4E
SCHEMBL28747058 0.77 ALDH1A1 (0.45) ALDH1A1RECQLADRA2AADRA2CLMNA
SCHEMBL5549297 0.76 CHRNB2 (0.51) ALDH1A1RECQLSLC6A2SLC6A4SLC6A3
SCHEMBL10652751 0.76 TAAR1 (0.41) ALDH1A1ADRA2AADRA2CLMNAHIF1A
SCHEMBL5501342 0.76 LTA4H (0.44) DPP4F2
SCHEMBL5550370 0.75 GSR (0.50) ALDH1A1RECQLADRA2ALMNAKDM4E
SCHEMBL29633537 0.75 TRPA1 (0.44) ALDH1A1RECQLADRA2AADRA2CLMNA
SCHEMBL4025487 0.75 ALDH1A1 (0.43) ALDH1A1RECQLADRA2ALMNASLC6A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105482094-A Non-ionic water-borne epoxy resin and preparation method thereof JIANGSU COLOURFUL NEW BUILDING MAT IND CO LTD 2016-04-13 CN disclosed
EP-1791835-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP disclosed
WO-2006028269-A2 THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-03-16 WO disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 WO disclosed