SCHEMBL1759141

SCHEMBL1759141

CCCC(CC)=C(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 4/20 0.43
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
THRB P10828 1/20 0.43
PGGT1B P53609 1/20 0.43
ALDH1A1 P00352 4/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 4/20 0.36
AKR1B1 P15121 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIK3 Q13003 1/20 0.33
GRIK5 Q16478 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL3820317 0.90 HDAC3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL3870298 0.86 FNTA (0.50) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL4946229 0.86 FNTA (0.50) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL222773 0.84 ALDH1A1 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1782904 0.83 FNTA (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL23100692 0.83 FNTA (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL4176573 0.82 FNTA (0.62) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL148743 0.82 FNTA (0.62) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL16048793 0.82 FNTA (0.62) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL1776565 0.82 FNTA (0.62) FNTAFNTBTHRBPGGT1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011055251-A1 ESTERS AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2011-05-12 WO disclosed
US-20080057188-A1 Outer polyurethane printing surface is texturized to receive ink; solvent free; applied in a single pass and cured or hardened inline at relatively high speeds DAY INTERNATIONAL, INC. 2008-03-06 US disclosed
US-20080034998-A1 METHOD OF MAKING A PRINTING BLANKET OR SLEEVE INCLUDING CAST POLYURETHANE LAYERS DAY INTERNATIONAL, INC. 2008-02-14 US disclosed
EP-0154819-B1 METHOD OF ADHESION AND COMPOSITION THEREFOR Takeda Chemical Industries, Ltd. (JP) 1988-07-06 EP disclosed