SCHEMBL1547526

SCHEMBL1547526

CCCCCCCCCCCCOC(=O)C(CCC)(CCC)C(CCC)(CCC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
HCAR2 Q8TDS4 2/20 0.45
EPHX1 P07099 1/20 0.44
TSHR P16473 4/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.40
ACHE P22303 6/20 0.40
HTR2C P28335 1/20 0.39

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
SCHEMBL6753228 0.93 NAAA (0.47) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL28340208 0.91 NAAA (0.50) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL6863717 0.82 NAAA (0.48) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL27603885 0.80 PIN1 (0.41) HCAR2ALDH1A1LMNANPSR1
SCHEMBL28134686 0.78 NAAA (0.53) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL29444579 0.78 NAAA (0.46) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL27603895 0.78 NAAA (0.38) NAAAEPHX1TSHRALDH1A1LMNA
SCHEMBL28340245 0.77 NAAA (0.52) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL5665790 0.77 NAAA (0.48) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL9153319 0.77 NAAA (0.52) NAAAHCAR2EPHX1TSHRALDH1A1

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
EP-1512737-B1 Lubricating oil composition for marine engines INFINEUM INT LTD (GB) 2011-04-20 EP disclosed