SCHEMBL9015585

SCHEMBL9015585

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.33
TDP1 Q9NUW8 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
HDAC6 Q9UBN7 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 1/20 0.33
STING1 Q86WV6 1/20 0.32
EPHX2 P34913 1/20 0.31
CYP2D6 P10635 1/20 0.31
DGAT1 O75907 1/20 0.30
GAA P10253 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9145760 0.85 TSHR (0.50) TSHRTDP1CA12CA2CA14
SCHEMBL9149459 0.85 ALDH1A1 (0.41) TSHRTDP1HSD17B10
SCHEMBL11706849 0.82 DGKA (0.39) TSHRTDP1
SCHEMBL9015586 0.80 CYP1A2 (0.42) TSHRTDP1GAAHSD17B10
SCHEMBL464934 0.78 NAALAD2 (0.41) TSHRTDP1HDAC3HDAC1HDAC2
Hydrogen Peroxide SCHEMBL28311497 0.78 NAALAD2 (0.41) TSHRTDP1HDAC3HDAC1HDAC2
SCHEMBL10014001 0.78 HDAC6 (0.37) TSHRTDP1HDAC3HDAC1HDAC2
SCHEMBL16327485 0.78 HDAC6 (0.37) TSHRTDP1HDAC3HDAC1HDAC2
SCHEMBL11210589 0.77 NAALAD2 (0.39) TSHRTDP1HDAC3HDAC1HDAC2
SCHEMBL9015677 0.77 TSHR (0.37) TSHRTDP1

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
US-5516856-A IMPROVED PROCESS FOR THE MODIFICATION OF THE MOLECULAR CHAIN OF A POLYMER ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-05-14 US disclosed
US-5457162-A Catalyst for addition polymerization, curing and crosslinking ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-10-10 US disclosed
US-5399630-A Process for curing polymers using amino or hydrazino peroxides ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-03-21 US disclosed
US-5360867-A Reactive with maleic acid or maleic anhydride polymer ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-11-01 US disclosed
US-5272219-A Process for preparing amino or hydrazino peroxides, derivatives and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1993-12-21 US disclosed
US-4956416-A CURING UNSATURATED POLYESTERS; ADDITION POLYMERIZATION CATALYSTS; COAVALENTLY BOUND PERFORMANCE ADDITIVE FUNCTIONS; GRAFT AND BLOCK POLYMERS; SELF-CURING ATOCHEM NORTH AMERICA, INC. (US) 1990-09-11 US disclosed