SCHEMBL20165418

SCHEMBL20165418

CCOC(=O)CC(C)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HDAC6 Q9UBN7 2/20 0.33
TRPA1 O75762 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL20180238 0.84 MGAM (0.41) CYP1A2HTTMGAMGAASI
SCHEMBL6255926 0.84 L3MBTL1 (0.39) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL21522920 0.81 GAA (0.43) CYP1A2MGAMGAASIMGAM2
SCHEMBL15290576 0.81 CA12 (0.36) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL21522932 0.80 MGAM (0.38) CYP1A2MGAMGAASIMGAM2
SCHEMBL17297219 0.80 CYP2D6 (0.39) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL21431256 0.80 NFKB1 (0.39) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL7351512 0.80 AAK1 (0.34) GAACA1CA2HDAC6HDAC1
SCHEMBL18432601 0.80 ALDH1A1 (0.37) CA1CA2ALDH1A1HDAC6HDAC1
SCHEMBL10473406 0.80 AAK1 (0.34) GAACA1CA2HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541857-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2020-09-09 EP disclosed
US-10654946-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2020-05-19 US disclosed
US-20190330388-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2019-10-31 US disclosed
EP-3541857-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2019-09-25 EP disclosed
WO-2018091375-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-05-24 WO disclosed