SCHEMBL7197360

SCHEMBL7197360

C=C(CCC)C(=O)OC(=O)CO

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
FFAR3 O14843 3/20 0.32
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
TSHR P16473 1/20 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
SCHEMBL10527328 0.80 ALDH1A1 (0.44) ALDH1A1CES2CES1FFAR3HDAC3
SCHEMBL2320994 0.80 ALDH1A1 (0.41) ALDH1A1CES2CES1FFAR3HDAC3
SCHEMBL8360661 0.78 HSD17B10 (0.44) ALDH1A1CES2CES1FFAR3HDAC3
SCHEMBL629110 0.78 ALDH1A1 (0.42) ALDH1A1CES2CES1FFAR3HDAC3
SCHEMBL1922102 0.77 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL3862259 0.77 CES1 (0.42) ALDH1A1CES2CES1FFAR3HDAC3
Water SCHEMBL27348784 0.77 HSD17B10 (0.42) ALDH1A1CES2CES1FFAR3HDAC3
SCHEMBL6896365 0.77 ALDH1A1 (0.41) ALDH1A1CES2CES1FFAR3HDAC3
SCHEMBL9245458 0.77 ALDH1A1 (0.41) ALDH1A1CES2CES1FFAR3HDAC3
Acetic Acid SCHEMBL27838110 0.75 HSD17B10 (0.41) ALDH1A1CES2CES1FFAR3HDAC3

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
US-20030224449-A1 Accelerator for agglutination reactions, reagent for biochemical assays, and biochemical assay method KYOKUTO PHARMACEUTICAL INDUSTRIAL CO., LTD. (JP) 2003-12-04 US disclosed
EP-1355154-A2 Accelerator for agglutination reactions, reagent for biochemical assays, and biochemical assay method Kyokuto Pharmaceutical Industrial Co. Ltd (JP) 2003-10-22 EP disclosed