SCHEMBL5973576

SCHEMBL5973576

CCC(C)(C)OC(=O)C(CC)(CC)CCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.35
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
ESR2 Q92731 1/20 0.33
TSHR P16473 2/20 0.31
AKR1B1 P15121 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL5972908 0.85 MEN1 (0.35) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL677242 0.80 ALDH1A1 (0.45) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL8160777 0.79 ALDH1A1 (0.44) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL5570450 0.76 ALDH1A1 (0.41) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL83753 0.73 ALDH1A1 (0.56) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL9495250 0.73 ALDH1A1 (0.56) ALDH1A1MEN1CYP1A2THRBKMT2A
Hydrogen Peroxide SCHEMBL29137387 0.73 ALDH1A1 (0.38) ALDH1A1CYP1A2FFAR3TSHR
SCHEMBL13278817 0.73 HMGCR (0.34) CYP4F2CYP4A11TSHRHIF1AHSD17B10
SCHEMBL13785296 0.72 EGLN1 (0.43) ALDH1A1MEN1CYP1A2THRBKMT2A
Hydrochloric Acid SCHEMBL27709847 0.71 ALDH1A1 (0.54) ALDH1A1MEN1CYP1A2THRBKMT2A

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-3908614-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2021-11-17 EP disclosed
WO-2020144035-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2020-07-16 WO disclosed
EP-1082359-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SRL (IT) 2006-07-19 EP disclosed
US-6541582-B1 Catalytic polymerization of propylene via magnesium chloride, titanium chloride, and beta-substituted glutarates; stereospecificity; high isotactic index expressed in terms of high xylene insolubility BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2003-04-01 US disclosed
EP-1082359-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Basell Technology Company B.V. (NL) 2001-03-14 EP disclosed
WO-2000055215-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL TECHNOLOGY COMPANY B.V. (NL) 2000-09-21 WO disclosed