SCHEMBL5166175

SCHEMBL5166175

CCC/C(OCC)=C(/C)C(=O)O.CCCO/C(CC)=C(\C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
THRB P10828 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
SOAT1 P35610 1/20 0.32
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL11832031 0.89 HCAR2 (0.39) ALDH1A1LMNAHSD17B10HCAR2THRB
SCHEMBL5616300 0.88 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10HCAR2THRB
SCHEMBL5164512 0.88 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10HCAR2THRB
SCHEMBL5167065 0.88 HCAR2 (0.41) ALDH1A1LMNAHSD17B10HCAR2THRB
SCHEMBL7758324 0.88 HCAR2 (0.41) ALDH1A1LMNAHSD17B10HCAR2THRB
SCHEMBL126032 0.84 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10HCAR2THRB
SCHEMBL222774 0.84 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10HCAR2THRB
SCHEMBL6065999 0.77 ALDH1A1 (0.54) ALDH1A1LMNAHCAR2THRBFNTA
SCHEMBL125261 0.77 ALDH1A1 (0.54) ALDH1A1LMNAHCAR2THRBFNTA
SCHEMBL10602554 0.77 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10HCAR2THRB

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-1476509-B1 SELF-POLISHING ANTIFOULING PAINT JOTUN AS (NO) 2007-04-11 EP claimed
EP-1476509-B1 SELF-POLISHING ANTIFOULING PAINT JOTUN AS (NO) 2007-04-11 EP disclosed