SCHEMBL28293184

SCHEMBL28293184

CC(C)(CCCCCCCCCCC(=O)O)CCCCCC(O)CCCCCC(C)(C)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.75
ACACA Q13085 1/20 0.75
FFAR1 O14842 3/20 0.56
FFAR4 Q5NUL3 2/20 0.56
ACLY P53396 1/20 0.45
CPT2 P23786 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TBXA2R P21731 1/20 0.40
PTGFR P43088 1/20 0.40
PTGER2 P43116 1/20 0.40
FAAH O00519 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PTPN1 P18031 1/20 0.38
GSTK1 Q9Y2Q3 1/20 0.38
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL19159454 0.95 ACACB (0.83) ACACBACACAFFAR1FFAR4ACLY
SCHEMBL939882 0.92 ACACB (0.72) ACACBACACAFFAR1FFAR4ACLY
SCHEMBL27689617 0.88 ACLY (0.55) ACACBACACAFFAR1FFAR4ACLY
SCHEMBL20307371 0.88 ACLY (0.55) ACACBACACAFFAR1FFAR4ACLY
SCHEMBL23348922 0.87 ACACB (1.00) ACACBACACAFFAR1FFAR4ACLY
SCHEMBL186052 0.87 ACACB (1.00) ACACBACACAFFAR1FFAR4ACLY
Bempedoic Acid SCHEMBL185768 0.87 ACACB (1.00) ACACBACACAFFAR1FFAR4ACLY
SCHEMBL19159252 0.86 ACACB (0.77) ACACBACACAFFAR1FFAR4ACLY
SCHEMBL6180003 0.85 ACACB (0.59) ACACBACACAFFAR1FFAR4CPT2
SCHEMBL205270 0.85 ACACB (0.96) ACACBACACAFFAR1FFAR4ACLY

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109721486-A A kind of synthetic method of 8- hydroxyl -2,2,14,14- tetramethyl-pentacosandioic acid 鲁南制药集团股份有限公司 2019-05-07 CN disclosed
CN-109721486-A A kind of synthetic method of 8- hydroxyl -2,2,14,14- tetramethyl-pentacosandioic acid 鲁南制药集团股份有限公司 2019-05-07 CN disclosed