SCHEMBL28111137

SCHEMBL28111137

CCCCCCCCCCCCCCCCCCOC(=O)C(CC)C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
TSHR P16473 3/20 0.52
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CES2 O00748 1/20 0.46
HCAR2 Q8TDS4 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 6/20 0.43

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
SCHEMBL14763962 1.00 NAAA (0.52) NAAATSHREPHX1ALDH1A1CES2
SCHEMBL8045725 1.00 NAAA (0.52) NAAATSHREPHX1ALDH1A1CES2
SCHEMBL28322945 1.00 NAAA (0.52) NAAATSHREPHX1ALDH1A1CES2
SCHEMBL28076385 0.98 TSHR (0.48) NAAATSHREPHX1ALDH1A1CES2
SCHEMBL11389275 0.92 ALDH1A1 (0.56) NAAATSHREPHX1ALDH1A1HCAR2
SCHEMBL27813435 0.90 ALDH1A1 (0.54) NAAATSHREPHX1ALDH1A1HCAR2
SCHEMBL26923818 0.90 NAAA (0.57) NAAATSHREPHX1ALDH1A1HCAR2
SCHEMBL26923158 0.90 NAAA (0.57) NAAATSHREPHX1ALDH1A1HCAR2
SCHEMBL9472816 0.85 NAAA (0.52) NAAATSHREPHX1ALDH1A1HCAR2
SCHEMBL10557331 0.85 NAAA (0.52) NAAATSHREPHX1ALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106147673-A Adhesive composition and surface protective film 藤森工业株式会社 2016-11-23 CN disclosed