SCHEMBL8635207

SCHEMBL8635207

CCCN(CCCO)C(=O)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HPGD P15428 1/20 0.45
CA12 O43570 4/20 0.41
CA9 Q16790 4/20 0.41
CA2 P00918 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
CA1 P00915 3/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL8631423 0.91 CA12 (0.48) ALDH1A1HPGDCA12CA9CA2
SCHEMBL3428767 0.87 ALDH1A1 (0.45) ALDH1A1HPGDCA12CA9CA2
SCHEMBL8634142 0.86 ALDH1A1 (0.48) ALDH1A1HPGDCA12CA9CA2
SCHEMBL18373838 0.86 CA12 (0.52) ALDH1A1HPGDCA12CA9CA2
SCHEMBL1224664 0.86 ALDH1A1 (0.56) ALDH1A1HPGDCA12CA9CA2
SCHEMBL8633083 0.85 ALDH1A1 (0.53) ALDH1A1HPGDCA12CA9CA2
SCHEMBL8633814 0.84 LMNA (0.44) ALDH1A1HPGDCA12CA9CA2
SCHEMBL18435281 0.84 ALDH1A1 (0.54) ALDH1A1HPGDCA12CA9CA2
SCHEMBL7719427 0.83 CA12 (0.48) ALDH1A1HPGDCA12CA9CA2
SCHEMBL17548968 0.82 ALDH1A1 (0.41) ALDH1A1HPGDCA12CA9CA2

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
EP-0853107-A1 Ink jet ink compositions comprising hydroxyamide derivatives and printing processes XEROX CORPORATION (US) 1998-07-15 EP claimed
US-5693129-A AQUEOUS MIXCTURE CONTAINING COLORING AND A HYDROXYAMIDE, THIOAMIDE, MERCAPTOAMIDE, MERCAPTOTHIOAMIDE OR AN OXYALKYLENE OR A THIOALKYLENE REACTION PRODUCT OF THE AMIDES, FOR HIGH RESOLUTION, REDUCED CURLING XEROX CORPORATION (US) 1997-12-02 US claimed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 EP disclosed
EP-0853107-A1 Ink jet ink compositions comprising hydroxyamide derivatives and printing processes XEROX CORPORATION (US) 1998-07-15 EP disclosed
US-5693129-A AQUEOUS MIXCTURE CONTAINING COLORING AND A HYDROXYAMIDE, THIOAMIDE, MERCAPTOAMIDE, MERCAPTOTHIOAMIDE OR AN OXYALKYLENE OR A THIOALKYLENE REACTION PRODUCT OF THE AMIDES, FOR HIGH RESOLUTION, REDUCED CURLING XEROX CORPORATION (US) 1997-12-02 US disclosed