SCHEMBL28099783

SCHEMBL28099783

CCCCCCCCC(C)C(=O)OOCCCCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
ACE2 Q9BYF1 1/20 0.44
NAAA Q02083 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.43
EPHX1 P07099 1/20 0.42
FAAH O00519 1/20 0.41
TSHR P16473 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
GPR84 Q9NQS5 2/20 0.40
FDPS P14324 2/20 0.40
DGKA P23743 1/20 0.40

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
SCHEMBL28292456 0.98 CA1 (0.50) CA1ACE2NAAAZDHHC7EPHX1
SCHEMBL29033081 0.84 CA1 (0.47) CA1ACE2ZDHHC7FAAHFFAR4
SCHEMBL29195095 0.84 CA1 (0.47) CA1ACE2ZDHHC7FAAHFFAR4
SCHEMBL29033065 0.84 CA1 (0.47) CA1ACE2ZDHHC7FAAHFFAR4
SCHEMBL7223700 0.83 CA1 (0.53) CA1ACE2NAAAZDHHC7EPHX1
SCHEMBL7224048 0.83 CA1 (0.53) CA1ACE2NAAAZDHHC7EPHX1
SCHEMBL7223667 0.83 CA1 (0.53) CA1ACE2NAAAZDHHC7EPHX1
SCHEMBL7218790 0.83 CA1 (0.53) CA1ACE2NAAAZDHHC7EPHX1
SCHEMBL15294513 0.83 CA1 (0.53) CA1ACE2NAAAZDHHC7EPHX1
SCHEMBL7223773 0.83 CA1 (0.53) CA1ACE2NAAAZDHHC7EPHX1

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
CN-104093695-B Capric acid derivatives and perfume compositions 长谷川香料株式会社 2016-08-31 CN disclosed