SCHEMBL1053072

SCHEMBL1053072

CCC/C(NC)=C(/C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
THRB P10828 1/20 0.41
PGGT1B P53609 1/20 0.41
FFAR3 O14843 3/20 0.40
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CTSD P07339 1/20 0.34
TSHR P16473 4/20 0.33
HAO1 Q9UJM8 1/20 0.32
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 2/20 0.31
HSP90AA1 P07900 1/20 0.31
AKR1B1 P15121 1/20 0.31
PPARG P37231 4/20 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
SCHEMBL17423956 0.87 FNTA (0.47) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL8849905 0.85 FNTA (0.55) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL8849911 0.85 FNTA (0.55) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL844490 0.81 TDP1 (0.36) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL844488 0.81 TDP1 (0.36) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL3922639 0.80 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28704392 0.80 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8507231 0.80 FNTA (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1143033 0.77 FNTA (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2189435 0.77 CRBN (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003092913-A1 INK-JET COATING COMPOSITIONS, PROCESS FOR MAKING, AND USE IN PROVIDING WATER-RESISTANT IMAGE PIXTERRA, INC. (US) 2003-11-13 WO claimed
WO-2022004197-A1 METHOD FOR MANUFACTURING ABRASIVE GRAINS, COMPOSITION FOR CHEMICAL MECHANICAL POLISHING AND METHOD FOR CHEMICAL MECHANICAL POLISHING JSR株式会社 2022-01-06 WO disclosed
EP-2646511-A1 CURABLE COMPOSITION Construction Research & Technology GmbH (DE) 2013-10-09 EP disclosed
WO-2012072502-A1 CURABLE COMPOSITION CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2012-06-07 WO disclosed
EP-2456840-A1 ADHESIVES AND SEALANTS CONTAINING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2012-05-30 EP disclosed
WO-2011009672-A1 ADHESIVES AND SEALANTS CONTAINING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2011-01-27 WO disclosed
EP-1809707-A1 COATING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2007-07-25 EP disclosed
WO-2006048167-A1 COATING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2006-05-11 WO disclosed
EP-1474491-A1 USE OF ANTI-ADHESIVE PACKAGING MATERIALS FOR PACKAGING CHEMICALS AND FOOD BASF AKTIENGESELLSCHAFT (DE) 2004-11-10 EP disclosed
WO-2003066763-A1 USE OF ANTI-ADHESIVE PACKAGING MATERIALS FOR PACKAGING CHEMICALS AND FOOD BASF AKTIENGESELLSCHAFT (DE) 2003-08-14 WO disclosed
EP-0428970-A1 Process for preparing aqueous solutions or suspensions of quaternization products of tertiary aminoalkylesters or tertiary aminoalkylamides of acrylic or methacrylic acid, for instance of dimethylaminoethyl-acrylate-methochloride BASF Aktiengesellschaft (DE) 1991-05-29 EP disclosed