SCHEMBL18113296

SCHEMBL18113296

CCOC(=O)SCC(C)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34

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
SCHEMBL18113063 0.89 TSHR (0.36) ALDH1A1CYP3A4CYP2C19HDAC3HDAC4
SCHEMBL20851116 0.86 HDAC3 (0.34) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL818946 0.83 MME (0.41) ALDH1A1CYP3A4CYP2C19GAAHSD17B10
SCHEMBL31065468 0.80 METAP2 (0.42) ALDH1A1CYP3A4CYP2C19GAAHSD17B10
SCHEMBL16626926 0.80 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C19GAAHSD17B10
SCHEMBL12707546 0.80 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C19GAAHSD17B10
SCHEMBL12707543 0.80 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C19GAAHSD17B10
SCHEMBL12787688 0.79 ALDH1A1 (0.37) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL18113207 0.79 CHRNB2 (0.42) ALDH1A1CYP3A4CYP2C19GAAHSD17B10
SCHEMBL18113224 0.77 CYP3A4 (0.33) ALDH1A1CYP3A4CYP2C19GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277736-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2019-03-27 EP disclosed
US-10011668-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-07-03 US disclosed
US-10011668-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-07-03 US disclosed
US-20180057622-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-03-01 US disclosed
US-20180057622-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-03-01 US disclosed
EP-3277736-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2018-02-07 EP disclosed
WO-2016156473-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2016-10-06 WO disclosed