SCHEMBL19002169

SCHEMBL19002169

CC(C)(C=O)NC(=O)NCCNCCCCCCS

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.40
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
CA3 P07451 2/20 0.34
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 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
SCHEMBL20026739 0.84 EPHX1 (0.45) EPHX1HDAC3HDAC4HDAC1HDAC7
SCHEMBL25920320 0.84 EPHX1 (0.45) EPHX1HDAC3HDAC4HDAC1HDAC7
SCHEMBL25825388 0.83 EPHX1 (0.42) EPHX1HDAC3HDAC4HDAC1HDAC7
SCHEMBL21365174 0.81 EPHX1 (0.42) EPHX1HDAC3HDAC4HDAC1HDAC7
SCHEMBL21780549 0.80 HDAC3 (0.35) EPHX1HDAC3HDAC4HDAC1HDAC7
SCHEMBL21189718 0.77 EPHX1 (0.39) EPHX1HDAC3HDAC4HDAC1HDAC7
SCHEMBL17080653 0.73 HDAC4 (0.39) EPHX1HDAC4HDAC1CA3CA5A
SCHEMBL25919981 0.70 EPHX1 (0.41) EPHX1HDAC3HDAC4HDAC1HDAC7
SCHEMBL807923 0.69 EPHX1 (0.41) EPHX1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20026472 0.69 EPHX1 (0.42) EPHX1CA3CA5ACA5BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782649-A1 BIODEGRADABLE POLYETHYLENE GLYCOL BASED WATER-INSOLUBLE HYDROGELS Ascendis Pharma A/S (DK) 2021-02-24 EP disclosed
EP-2459220-B1 BIODEGRADABLE POLYETHYLENE GLYCOL BASED WATER-INSOLUBLE HYDROGELS ASCENDIS PHARMA AS (DK) 2020-09-09 EP disclosed
EP-2459228-B1 PRODRUGS COMPRISING AN INSULIN LINKER CONJUGATE SANOFI AVENTIS DEUTSCHLAND (DE) 2020-03-04 EP disclosed
EP-3302567-B1 PRODRUGS COMPRISING AN GLP-1/GLUCAGON DUAL AGONIST LINKER HYALURONIC ACID CONJUGATE SANOFI SA (FR) 2019-09-11 EP disclosed
WO-2018100174-A1 CONJUGATES COMPRISING AN GLP-1/GLUCAGON DUAL AGONIST, A LINKER AND HYALURONIC ACID SANOFI (FR) 2018-06-07 WO disclosed
EP-2459171-B1 Long acting insulin composition SANOFI AVENTIS DEUTSCHLAND (DE) 2017-06-21 EP disclosed