SCHEMBL21522909

SCHEMBL21522909

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CYP3A4 P08684 3/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 4/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
TRPA1 O75762 1/20 0.32
KMT2A Q03164 2/20 0.32
ALOX15 P16050 2/20 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
SCHEMBL20165506 0.90 MGAM (0.36) MGAMGAASIMGAM2CYP3A4
SCHEMBL20166073 0.89 ALDH1A1 (0.38) RECQLMGAMGAASIMGAM2
SCHEMBL28494389 0.88 GPR84 (0.38) CYP3A4TSHRTDP1CA1CA2
SCHEMBL21522948 0.87 RECQL (0.33) RECQLMGAMGAASIMGAM2
SCHEMBL20180243 0.85 ALDH1A1 (0.38) MGAMGAASIMGAM2CA1
SCHEMBL20180242 0.85 ALDH1A1 (0.35) MGAMGAASIMGAM2CA1
SCHEMBL20166098 0.83 MGAM (0.39) MGAMGAASIMGAM2CYP3A4
SCHEMBL20168883 0.83 ALDH1A1 (0.38) RECQLMGAMGAASIMGAM2
SCHEMBL21522931 0.83 CA2 (0.39) RECQLMGAMGAASIMGAM2
SCHEMBL21522892 0.80 RECQL (0.37) RECQLMGAMGAASIMGAM2

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 3 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