SCHEMBL9577616

SCHEMBL9577616

CCCCCCCCCCCCC(NCCC)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.54
GPR84 Q9NQS5 7/20 0.52
FFAR1 O14842 1/20 0.52
MAPT P10636 1/20 0.50
LCK P06239 1/20 0.50
PPARD Q03181 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.50
ZDHHC2 Q9UIJ5 1/20 0.50
ACE2 Q9BYF1 1/20 0.47
SLC6A5 Q9Y345 1/20 0.44
FOLH1 Q04609 2/20 0.44
TLR2 O60603 1/20 0.44

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
SCHEMBL2418282 1.00 NOD1 (0.54) NOD1GPR84FFAR1MAPTLCK
SCHEMBL18920736 0.92 NOD1 (0.61) NOD1GPR84FFAR1MAPTLCK
SCHEMBL27804486 0.92 NOD1 (0.61) NOD1GPR84FFAR1MAPTLCK
SCHEMBL28218460 0.92 NOD1 (0.61) NOD1GPR84FFAR1MAPTLCK
SCHEMBL7568502 0.92 NOD1 (0.61) NOD1GPR84FFAR1MAPTLCK
SCHEMBL20420882 0.92 NOD1 (0.61) NOD1GPR84FFAR1MAPTLCK
SCHEMBL28564867 0.92 NOD1 (0.61) NOD1GPR84FFAR1MAPTLCK
SCHEMBL17080400 0.92 NOD1 (0.61) NOD1GPR84FFAR1MAPTLCK
SCHEMBL28568007 0.92 NOD1 (0.61) NOD1GPR84FFAR1MAPTLCK
SCHEMBL28218956 0.92 NOD1 (0.61) NOD1GPR84FFAR1MAPTLCK

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-1993007250-A1 NOVEL SKIN AND HAND CLEANSING PROCESS AND COMPOSITIONS NOVAPHARM RESEARCH (AUSTRALIA) PTY. LTD. (AU) 1993-04-15 WO disclosed