SCHEMBL27706205

SCHEMBL27706205

C=CC(=O)NC(C)(C)CS(=O)(=O)O.CCCS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GRK2 P25098 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL2359315 0.91 ZDHHC20 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL19490 0.90 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL28723020 0.90 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Iodide SCHEMBL7702886 0.89 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL12002785 0.89 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL31091242 0.89 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Water SCHEMBL10732835 0.89 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL121582 0.89 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8149086 0.89 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8153929 0.89 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101193955-B Vinyl alcohol copolymers resistant to harsh chemicals SEKISUI SPECIALTY CHEMICALS AMERICA, LLC (US) 2016-03-30 CN disclosed
CN-101193955-A Vinyl alcohol copolymers for aqueous dispersions and melt extruded articles CELANESE INT CORP (US) 2008-06-04 CN disclosed