SCHEMBL3243271

SCHEMBL3243271

CCCCCCCCCCCCCCOOC(=O)N(CCCC)OCCCCCCCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
CES2 O00748 2/20 0.37
EPHX1 P07099 1/20 0.36
DNM1 Q05193 1/20 0.36
TSHR P16473 3/20 0.35
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
LPAR3 Q9UBY5 3/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR2 Q9HBW0 2/20 0.34
DGKA P23743 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FAAH O00519 1/20 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
SCHEMBL8773035 0.77 ALDH1A1 (0.48) NAAAEPHX1DNM1TSHRHCAR2
SCHEMBL8773024 0.75 ALDH1A1 (0.38) EPHX1DNM1TSHRTHRATHRB
SCHEMBL8773015 0.75 ALDH1A1 (0.42) NAAAEPHX1DNM1TSHRDGKA
SCHEMBL8773042 0.75 ALDH1A1 (0.42) NAAADNM1TSHRDGKAHCAR2
SCHEMBL10615595 0.72 TSHR (0.50) NAAACES2EPHX1TSHRTHRB
SCHEMBL9461649 0.70 NAAA (0.48) NAAACES2EPHX1TSHRHCAR2
SCHEMBL8512927 0.70 NAAA (0.48) NAAACES2EPHX1TSHRHCAR2
SCHEMBL11454255 0.70 CES2 (0.52) NAAACES2EPHX1TSHRLPAR3
SCHEMBL5698083 0.70 CES2 (0.52) NAAACES2EPHX1TSHRLPAR3
SCHEMBL3004605 0.70 NAAA (0.48) NAAACES2EPHX1TSHRHCAR2

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
WO-2010030739-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-18 WO disclosed