SCHEMBL6067637

SCHEMBL6067637

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
FFAR3 O14843 3/20 0.48
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TSHR P16473 5/20 0.39
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
AKR1B1 P15121 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35
PPARA Q07869 6/20 0.35
HDAC11 Q96DB2 5/20 0.35
GPR84 Q9NQS5 4/20 0.35

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
SCHEMBL6067584 0.84 CES1 (0.48) CES2CES1TSHRALDH1A1THRB
SCHEMBL22227519 0.82 AKR1B1 (0.54) CES2CES1TSHRALDH1A1THRB
SCHEMBL17468390 0.80 GPR84 (0.56) CES2CES1TSHRALDH1A1THRB
SCHEMBL2466379 0.80 GLO1 (0.39) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL3841638 0.78 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL4276967 0.78 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL2139643 0.78 HDAC1 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL3841640 0.78 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL3278123 0.78 HDAC1 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL6651520 0.77 ALDH1A1 (0.44) HDAC3HDAC1HDAC2HDAC8FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191530-B1 SOLUTION POLYMERS INCLUDING ONE OR MORE 1,1-DISUBSTITUTED ALKENE COMPOUNDS, SOLUTION POLYMERIZATION METHODS, AND POLYMER COMPOSITIONS SIRRUS INC (US) 2020-11-11 EP claimed
EP-3191546-B1 EMULSION POLYMERS INCLUDING ONE OR MORE 1,1-DISUBSTITUTED ALKENE COMPOUNDS, EMULSION METHODS, AND POLYMER COMPOSITIONS SIRRUS INC (US) 2020-07-22 EP claimed
WO-2006100606-A2 PREPARATION OF BETA-AMINO ACID PRECURSORS VIA INDIUM (III) MEDIATED MARKOVNIKOV ADDITION AND KNOEVENAGEL CONDENSATION WARNER-LAMBERT COMPANY LLC (US) 2006-09-28 WO claimed
US-20210309780-A1 METHYLENE MALONATE MONOMERS AND MULTIFUNCTIONAL MACROMERS AS ADDITIVES DURING PLASTICS PROCESSING SIRRUS, INC. 2021-10-07 US disclosed
WO-2020123579-A1 POLYMERIZATION OF 1,1-DICARBONYL 1-ALKENES SIRRUS, INC. (US) 2020-06-18 WO disclosed
WO-2020123581-A1 EMULSION POLYMERS OF 1,1-DICARBONYL 1-ALKENES OF CONTROLLED PARTICLE SIZE SIRRUS, INC. (US) 2020-06-18 WO disclosed
WO-2006100606-A2 PREPARATION OF BETA-AMINO ACID PRECURSORS VIA INDIUM (III) MEDIATED MARKOVNIKOV ADDITION AND KNOEVENAGEL CONDENSATION WARNER-LAMBERT COMPANY LLC (US) 2006-09-28 WO disclosed