SCHEMBL4661753

SCHEMBL4661753

CCCCCCCCCCCCCCC(C(=O)[O-])[N+](C)(C)CCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
CA1 P00915 2/20 0.48
GPR84 Q9NQS5 8/20 0.42
PSMD14 O00487 2/20 0.40
PLA2G1B P04054 2/20 0.40
MMP2 P08253 2/20 0.40
ATG4B Q9Y4P1 2/20 0.40
HSP90AA1 P07900 1/20 0.40
RAD52 P43351 1/20 0.40
FFAR1 O14842 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL8143768 0.93 CA2 (0.50) CA2CA1GPR84PSMD14PLA2G1B
SCHEMBL43306 0.83 CA2 (0.55) CA2CA1GPR84FFAR1NFKB1
SCHEMBL117777 0.83 CA2 (0.55) CA2CA1GPR84FFAR1NFKB1
SCHEMBL17763256 0.83 CA2 (0.55) CA2CA1GPR84FFAR1NFKB1
SCHEMBL17763250 0.83 CA2 (0.55) CA2CA1GPR84FFAR1NFKB1
SCHEMBL17763261 0.83 CA2 (0.55) CA2CA1GPR84FFAR1NFKB1
SCHEMBL120131 0.83 CA2 (0.55) CA2CA1GPR84FFAR1NFKB1
SCHEMBL118864 0.83 CA2 (0.55) CA2CA1GPR84FFAR1NFKB1
SCHEMBL7259121 0.83 CA2 (0.55) CA2CA1GPR84FFAR1NFKB1
SCHEMBL414426 0.83 CA2 (0.55) CA2CA1GPR84FFAR1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637121-B1 Cosmetic composition based on a cationic surfactant, an aminosilicone, a fatty alcohol, and a diol OREAL (FR) 2008-12-31 EP claimed
EP-1634569-B1 Cosmetic composition based on a cationic surfactant, a fatty alcohol, a cationic non-silicone polymer and a diol OREAL (FR) 2008-12-24 EP claimed
EP-1637121-A1 Cosmetic composition based on a cationic surfactant, an aminosilicone, a fatty alcohol, and a diol L'OREAL (FR) 2006-03-22 EP claimed
EP-1634569-A1 Cosmetic composition based on a cationic surfactant, a fatty alcohol, a cationic non-silicone polymer and a diol L'OREAL (FR) 2006-03-15 EP claimed