SCHEMBL8994069

SCHEMBL8994069

CCCCCCC(C)C(=O)OC(=O)C(C)CCCCCC

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.57
ACE2 Q9BYF1 1/20 0.52
ZDHHC7 Q9NXF8 1/20 0.50
FAAH O00519 1/20 0.47
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
GPR84 Q9NQS5 4/20 0.47
FDPS P14324 3/20 0.47
NAAA Q02083 1/20 0.47
MAPT P10636 2/20 0.45
LCK P06239 1/20 0.45
PPARD Q03181 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45

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
SCHEMBL15754145 1.00 CA1 (0.57) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL27321446 1.00 CA1 (0.57) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL8052116 1.00 CA1 (0.57) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL1740005 0.98 CA1 (0.59) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL29269937 0.92 CA1 (0.50) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL28610191 0.92 CA1 (0.50) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL28602772 0.92 CA1 (0.50) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL28068287 0.92 CA1 (0.53) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL28829344 0.92 CA1 (0.53) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL1739770 0.91 CA1 (0.50) CA1ACE2ZDHHC7FDPSNAAA

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-5514683-A LIGANDS FKOR CHOLECYSTOKININ OR GASTRIN RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 1996-05-07 US disclosed