SCHEMBL9747819

SCHEMBL9747819

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.48
GRIA4 P48058 1/20 0.48
GRIK3 Q13003 1/20 0.48
GRIK5 Q16478 1/20 0.48
FFAR3 O14843 4/20 0.46
HDAC3 O15379 4/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
ALDH1A1 P00352 3/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
THRB P10828 1/20 0.40
PGGT1B P53609 1/20 0.40
TSHR P16473 4/20 0.38
AKR1B1 P15121 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PPARG P37231 4/20 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
SCHEMBL31195898 0.86 HDAC3 (0.48) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL8599484 0.84 FNTA (0.52) ALDH1A1CES2CES1FNTAFNTB
SCHEMBL8599489 0.84 FNTA (0.52) ALDH1A1CES2CES1FNTAFNTB
SCHEMBL797279 0.84 GRIK1 (0.41) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL554603 0.83 HDAC3 (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL184432 0.83 HDAC3 (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL554602 0.83 HDAC3 (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL10560641 0.82 GRIK1 (0.47) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL28065698 0.82 FFAR3 (0.43) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL7871455 0.81 FNTA (0.64) ALDH1A1CES2CES1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014186292-A1 DETECTION IN THERMOPLASTICS DANES JEFFREY E (US) 2014-11-20 WO disclosed
EP-0515506-A1 IMPROVEMENTS IN THE SPECIFICITY AND CONVENIENCE OF THE POLYMERASE CHAIN REACTION F. HOFFMANN-LA ROCHE AG (CH) 1992-12-02 EP disclosed
WO-1991012342-A1 IMPROVEMENTS IN THE SPECIFICITY AND CONVENIENCE OF THE POLYMERASE CHAIN REACTION F. HOFFMANN-LA ROCHE AG (CH) 1991-08-22 WO disclosed