SCHEMBL28533731

SCHEMBL28533731

CCCCCCC(C)(C)C(=O)O.CCCCCCCCCCCC(O)CCCCCCCC

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.86
ACACA Q13085 1/20 0.86
FFAR1 O14842 2/20 0.58
FFAR4 Q5NUL3 1/20 0.58
GPR84 Q9NQS5 8/20 0.55
ACLY P53396 1/20 0.50
FAAH O00519 2/20 0.47
NFKB1 P19838 1/20 0.47
ACE2 Q9BYF1 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL12092725 1.00 ACACB (0.86) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL12092719 1.00 ACACB (0.86) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL2737120 1.00 ACACB (0.86) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL6181419 1.00 ACACB (0.86) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL12092724 0.98 ACACB (0.82) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL186401 0.96 ACACB (0.86) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL2737117 0.95 ACACB (0.82) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL23348922 0.93 ACACB (1.00) ACACBACACAFFAR1FFAR4GPR84
Bempedoic Acid SCHEMBL185768 0.93 ACACB (1.00) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL186052 0.93 ACACB (1.00) ACACBACACAFFAR1FFAR4GPR84

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-108883049-B Superfatting agents and personal care compositions 萨博公司 2021-03-12 CN disclosed