SCHEMBL6686527

SCHEMBL6686527

CCCCCCCCCCCCOC(=O)CNC(=O)CCCCCCCCCCC

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
FAAH O00519 9/20 0.56
NAAA Q02083 1/20 0.56
DGKA P23743 1/20 0.56
RECQL P46063 1/20 0.56
EPHX2 P34913 1/20 0.50
HTR2C P28335 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
RAD52 P43351 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL6692510 1.00 GAA (0.69) GAAFAAHNAAADGKARECQL
SCHEMBL7147577 1.00 GAA (0.69) GAAFAAHNAAADGKARECQL
SCHEMBL6688119 0.97 GAA (0.65) GAAFAAHNAAADGKARECQL
SCHEMBL16568826 0.91 GAA (0.61) GAAFAAHNAAADGKARECQL
SCHEMBL11674867 0.88 NAAA (0.63) GAAFAAHNAAADGKAHTR2C
SCHEMBL12319369 0.88 GAA (0.89) GAAFAAHDGKARECQLMEN1
SCHEMBL17510903 0.88 GAA (0.89) GAAFAAHDGKARECQLMEN1
SCHEMBL3182771 0.88 GAA (0.89) GAAFAAHDGKARECQLMEN1
SCHEMBL12960566 0.88 GAA (0.89) GAAFAAHDGKARECQLMEN1
SCHEMBL21190217 0.86 GAA (0.58) GAAFAAHNAAADGKARECQL

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-2004074235-A1 TRANSDERMAL PENETRATION ENHANCERS UNIVERZITA KARLOVA V PRAZE Farmaceuticka Fakulta V Hradci Kralové (CZ) 2004-09-02 WO disclosed