SCHEMBL6856910

SCHEMBL6856910

CCCCCCOOOC(=O)OC(=O)OOOCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
CES2 O00748 3/20 0.42
EPHX1 P07099 1/20 0.41
TSHR P16473 3/20 0.40
LPAR3 Q9UBY5 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39
DGKA P23743 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL21834086 1.00 NAAA (0.48) NAAACES2EPHX1TSHRLPAR3
SCHEMBL7064626 0.92 NAAA (0.47) NAAACES2EPHX1TSHRLPAR3
SCHEMBL316751 0.92 ALDH1A1 (0.41) NAAACES2EPHX1TSHRDGKA
SCHEMBL6333647 0.92 NAAA (0.47) NAAACES2EPHX1TSHRLPAR3
SCHEMBL6856916 0.91 NAAA (0.44) NAAACES2EPHX1TSHRHCAR2
SCHEMBL21834087 0.91 NAAA (0.44) NAAACES2EPHX1TSHRHCAR2
SCHEMBL8057242 0.90 NAAA (0.45) NAAACES2EPHX1TSHRLPAR3
SCHEMBL1960272 0.85 NAAA (0.48) NAAACES2EPHX1TSHRLPAR3
SCHEMBL18395916 0.85 ALDH1A1 (0.36) NAAATSHRHCAR2ALDH1A1
SCHEMBL11477129 0.85 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
US-20040029016-A1 Polymer electrolyte for lithium-sulfur battery and lithium-sulfur battery comprising same SAMSUNG SDI CO., LTD. (KR) 2004-02-12 US claimed