SCHEMBL9723691

SCHEMBL9723691

CCCCCCCCCCCCCC(=O)C(O)(CC(=O)OCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
DGKA P23743 1/20 0.50
HTR2C P28335 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 8/20 0.43
DNM1 Q05193 1/20 0.43
CES1 P23141 5/20 0.42
CES2 O00748 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL8417188 0.94 NAAA (0.50) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL8417228 0.94 NAAA (0.50) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL8418807 0.94 NAAA (0.50) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL8417157 0.84 NAAA (0.53) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL2232723 0.84 NAAA (0.53) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL8418803 0.84 NAAA (0.53) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL5530059 0.84 FAAH (0.44) NAAADGKAHTR2CFAAHCES1
SCHEMBL21257057 0.83 NAAA (0.51) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL34462661 0.80 DGKA (0.61) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL34462638 0.80 DGKA (0.61) NAAADGKAHTR2CPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992001386-A1 REDUCED CALORIE CONFECTIONERY COMPOSITIONS NABISCO, INC. (US) 1992-02-06 WO disclosed
WO-1991010372-A1 LOW CALORIE NUTS WITH THE ORGANOLEPTIC CHARACTER OR FULL FAT NUTS NABISCO, INC. (US) 1991-07-25 WO disclosed