SCHEMBL28697771

SCHEMBL28697771

CCCCCC(C(=O)OOC(=O)C(CCCCC)C(=O)C(C)CC)C(=O)C(C)CC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.48
ACE2 Q9BYF1 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.40
FAAH O00519 1/20 0.38
CA2 P00918 1/20 0.38
FDPS P14324 4/20 0.37
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
GPR84 Q9NQS5 3/20 0.36
NFKB1 P19838 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL245120 0.84 CA1 (0.46) CA1ACE2ZDHHC7FAAHCA2
SCHEMBL28022896 0.81 ACE2 (0.56) CA1ACE2FAAHFFAR1FFAR4
SCHEMBL28023392 0.81 ACE2 (0.56) CA1ACE2FAAHFFAR1FFAR4
SCHEMBL28022755 0.77 CA2 (0.52) CA1ACE2CA2FFAR1GPR84
SCHEMBL12748365 0.77 CA1 (0.65) CA1ACE2CA2FDPSFFAR1
SCHEMBL11820576 0.76 FAAH (0.49) CA1ZDHHC7FAAHCA2FFAR1
SCHEMBL2332072 0.75 CA2 (0.38) CA1CA2
SCHEMBL29070990 0.74 ZDHHC7 (0.46) CA1ZDHHC7FAAHCA2FFAR1
SCHEMBL22775031 0.74 CA2 (0.44) CA1ACE2ZDHHC7FAAHCA2
SCHEMBL18597119 0.73 CA2 (0.52) CA1ACE2CA2FDPSFFAR1

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-114127045-A Process for the production of diacyl peroxides 诺力昂化学品国际有限公司 2022-03-01 CN disclosed