SCHEMBL4732318

SCHEMBL4732318

C=C(C)C(=O)NC(=O)CCO

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.39
NAAA Q02083 1/20 0.35
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL194934 0.82 HDAC3 (0.46) TGFBR1ALDH1A1KDM4E
SCHEMBL12967924 0.81
SCHEMBL8984421 0.81 TGFBR1 (0.42) TGFBR1ALDH1A1TDP1KDM4E
SCHEMBL19579925 0.78 TDP1 (0.39) TGFBR1ALDH1A1TDP1
SCHEMBL195107 0.78 ALDH1A1 (0.47) ALDH1A1KDM4E
SCHEMBL2926477 0.77 HSP90AA1 (0.50) ALDH1A1KDM4E
SCHEMBL4157016 0.77 TERT (0.35) TGFBR1KDM4E
SCHEMBL194027 0.76 TGFBR1 (0.38) TGFBR1ALDH1A1TDP1KDM4E
SCHEMBL5681532 0.76 TGFBR1 (0.38) TGFBR1ALDH1A1TDP1KDM4E
SCHEMBL12967384 0.75

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
US-20080213334-A1 Mixture of cationic polymer, anionic polymer and drug, that forms blended coatings and/or hydrogel coatings for controlled release of said drug from medical devices coated with or containing such media Surmodics Coatings, LLC 2008-09-04 US disclosed
WO-2008042748-A2 POLYELECTROLYTE MEDIA FOR BIOACTIVE AGENT DELIVERY SURMODICS, INC. (US) 2008-04-10 WO disclosed