SCHEMBL9627140

SCHEMBL9627140

CC(C)(C)CC(C)(C)OOC(C)(CCC(=O)O)OOC(C)(C)CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.36
ALDH1A1 P00352 2/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
ESR2 Q92731 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL22150 0.82 ALDH1A1 (0.42) NAALAD2ALDH1A1ESR1CYP3A4ESR2
Hydrogen Peroxide SCHEMBL28311497 0.79 NAALAD2 (0.41) NAALAD2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL464934 0.79 NAALAD2 (0.41) NAALAD2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL25196391 0.78 TSHR (0.43) ALDH1A1ESR1MEN1KMT2ATSHR
SCHEMBL11210589 0.78 NAALAD2 (0.39) NAALAD2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL9627142 0.77 AKR1B1 (0.45) ALDH1A1ESR1MEN1KMT2ATSHR
SCHEMBL24407989 0.73 EGLN1 (0.39) NAALAD2TSHRFFAR3HDAC3HDAC1
SCHEMBL31094248 0.72 TSHR (0.39) TSHR
SCHEMBL11852358 0.71 TSHR (0.32) TSHR
SCHEMBL11403557 0.71 NAALAD2 (0.41) NAALAD2ALDH1A1ESR1CYP3A4ESR2

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-0273090-B1 SOLUTION POLYMERIZATION OF ACRYLIC ACID DERIVED MONOMERS USING TERTIARY ALKYL( C5)-HYDROPEROXIDES ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1992-03-18 EP disclosed
US-4777230-A HIGH SOLID COATINGS PENNWALT CORPORATION (US) 1988-10-11 US disclosed
EP-0273090-A1 Solution polymerization of acrylic acid derived monomers using tertiary alkyl( C5)-hydroperoxides ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1988-07-06 EP disclosed