SCHEMBL4158244

SCHEMBL4158244

O=C(O)CC(SC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KIF11 P52732 14/20 0.42
DNMT1 P26358 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CPA1 P15085 2/20 0.41
CPB1 P15086 1/20 0.41
CPA3 P15088 1/20 0.41
CPB2 Q96IY4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL26048653 0.87 KIF11 (0.57) ALDH1A1KIF11POLBL3MBTL1
SCHEMBL4454777 0.82 POLB (0.49) KIF11DNMT1POLB
SCHEMBL4831433 0.81 CYP1A2 (0.48) KDM4EKIF11NPSR1CPA1CPB1
SCHEMBL4839273 0.81 CYP1A2 (0.48) KDM4EKIF11NPSR1CPA1CPB1
SCHEMBL28038221 0.80 KIF11 (0.47) KIF11DNMT1
SCHEMBL4839082 0.79 KIF11 (0.43) KIF11DNMT1
SCHEMBL28879785 0.79 CYP2C19 (0.43) KIF11DNMT1
SCHEMBL4838957 0.78 KIF11 (0.44) KIF11DNMT1
SCHEMBL134594 0.77 HSD17B10 (0.51) KIF11POLBKMT2AL3MBTL1
SCHEMBL4840293 0.76 KIF11 (0.43) KIF11DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9999596-B2 Controlled release hydrogels RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-06-19 US disclosed
US-20150283077-A1 CONTROLLED RELEASE HYDROGELS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2015-10-08 US disclosed
US-20090104254-A1 Controlled Release Hydrogels RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-04-23 US disclosed
WO-2006069344-A2 CONTROLLED RELEASE HYDROGELS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2006-06-29 WO disclosed