SCHEMBL20165506

SCHEMBL20165506

CCCC(CC(=O)OCC)N(CC)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ALDH1A1 P00352 8/20 0.35
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
TRPA1 O75762 1/20 0.34
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL21522909 0.90 RECQL (0.35) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21522859 0.89 ALDH1A1 (0.37) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28489545 0.87 ALDH1A1 (0.38) ALDH1A1HSD17B10L3MBTL1POLBLMNA
SCHEMBL20166098 0.86 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL20168883 0.86 ALDH1A1 (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21522914 0.86 MGAM (0.33) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21522917 0.82 MGAM (0.35) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21522853 0.81 MGAM (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL20166073 0.80 ALDH1A1 (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21522854 0.79 MGAM (0.35) MGAMGAASIMGAM2ALDH1A1

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