SCHEMBL4665568

SCHEMBL4665568

CCCC(=CCO)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
FFAR3 O14843 3/20 0.42
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GRIK1 P39086 3/20 0.37
GRIK2 Q13002 2/20 0.37
TSHR P16473 2/20 0.35
EP300 Q09472 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.32
ABAT P80404 1/20 0.32
AKR1B1 P15121 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GPR84 Q9NQS5 2/20 0.31
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31

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
SCHEMBL1905710 1.00 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL984849 0.86 CES1 (0.42) CES2CES1GRIK1TSHREP300
SCHEMBL7173367 0.85 AKR1B1 (0.48) CES2CES1TSHREP300ALDH1A1
SCHEMBL9493661 0.83 GRIK1 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL1003142 0.83 GRIK1 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL691600 0.83 GRIK1 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL7176274 0.83 GPR84 (0.50) CES2CES1TSHREP300ALDH1A1
SCHEMBL9651125 0.82 GRIK1 (0.43) HDAC3HDAC1HDAC2HDAC8FFAR3
Hydrochloric Acid SCHEMBL9624870 0.81 GRIK1 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL811730 0.81 GRIK1 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1743909-B1 Extrudate containing a coating REHAU AG & CO (DE) 2008-05-07 EP disclosed
EP-1743909-A1 Extrudate containing a coating REHAU AG + Co (DE) 2007-01-17 EP disclosed