SCHEMBL27831760

SCHEMBL27831760

CCCCCCCCOOOC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
CES2 O00748 2/20 0.39
EPHX1 P07099 1/20 0.37
TSHR P16473 3/20 0.36
LPAR3 Q9UBY5 3/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
DGKA P23743 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FAAH O00519 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL6442581 0.89 NAAA (0.41) NAAACES2EPHX1TSHRLPAR3
SCHEMBL6333647 0.85 NAAA (0.47) NAAACES2EPHX1TSHRLPAR3
SCHEMBL7064626 0.85 NAAA (0.47) NAAACES2EPHX1TSHRLPAR3
SCHEMBL6442583 0.85 NAAA (0.38) NAAACES2EPHX1TSHRLPAR3
SCHEMBL8057242 0.83 NAAA (0.45) NAAACES2EPHX1TSHRLPAR3
SCHEMBL6856910 0.82 NAAA (0.48) NAAACES2EPHX1TSHRLPAR3
SCHEMBL21834086 0.82 NAAA (0.48) NAAACES2EPHX1TSHRLPAR3
SCHEMBL1067866 0.79 NAAA (0.41) NAAACES2EPHX1TSHRLPAR3
SCHEMBL11477129 0.79 NAAA (0.50) NAAAEPHX1TSHRDGKAHCAR2
SCHEMBL10710530 0.79 NAAA (0.50) NAAAEPHX1TSHRDGKAHCAR2

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-102099330-A Nitric oxide donating prostamides NICOX SA 2011-06-15 CN disclosed