SCHEMBL5972744

SCHEMBL5972744

C=CC(=O)NC(C)(C)C[N+](C)(C)CCCCS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GRK2 P25098 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.32
EPHX2 P34913 1/20 0.30

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
SCHEMBL5973619 0.96 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL28657357 0.95 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL4565040 0.84 BBOX1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL27408419 0.80 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL6438202 0.79
SCHEMBL15303927 0.78 BBOX1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL2558763 0.78 MEN1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL8428916 0.78 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL362973 0.78 BBOX1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL8005652 0.76 ZDHHC20 (0.49) ALDH1A1KMT2AATMEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2682458-B1 CELL SHEET HAVING HYALURONIC ACID PRODUCTION ABILITY AND METHOD FOR PREPARING THE SAME CELLSEED INC (JP) 2019-10-23 EP disclosed
US-20140056858-A1 CELL SHEET HAVING HYALURONIC ACID PRODUCTION ABILITY AND METHOD FOR PREPARING THE SAME NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2014-02-27 US disclosed
US-20130309703-A1 NOVEL METHOD FOR ANALYZING GLYCOSAMINOGLYCAN CELLSEED, INC. (JP) 2013-11-21 US disclosed
EP-2642286-A1 NOVEL METHOD FOR ANALYZING GLYCOSAMINOGLYCAN CellSeed Inc. (JP) 2013-09-25 EP disclosed
EP-1137466-B1 A CHROMATOGRAPHY METHOD AND A COLUMN MATERIAL USEFUL IN SAID METHOD SEQUANT AB (SE) 2006-08-23 EP disclosed
US-6884345-B1 Chromatography method and a column material useful in said method MERCK PATENT GMBH (DE) 2005-04-26 US disclosed
EP-1137466-A1 A CHROMATOGRAPHY METHOD AND A COLUMN MATERIAL USEFUL IN SAID METHOD Irgum, Knut (SE) 2001-10-04 EP disclosed
WO-2000027496-A1 A CHROMATOGRAPHY METHOD AND A COLUMN MATERIAL USEFUL IN SAID METHOD IRGUM KNUT (SE) 2000-05-18 WO disclosed