SCHEMBL22819360

SCHEMBL22819360

CC(C)(C)CCCCCC(O)CCCCCC(O)CCCCCC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.59
ACACA Q13085 1/20 0.59
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GPR84 Q9NQS5 5/20 0.36
RIPK1 Q13546 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
NFKB1 P19838 1/20 0.33
TRPA1 O75762 1/20 0.33
FAAH O00519 1/20 0.32
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6178291 1.00 ACACB (0.59) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL10264139 0.97 ACACB (0.56) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL14293914 0.92 ACACB (0.48) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL12092765 0.91 ACACB (0.52) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL8897109 0.91 FFAR1 (0.52) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL25479048 0.91 ACACB (0.52) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL8895607 0.91 FFAR1 (0.52) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL8897199 0.91 ACACB (0.52) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL8897706 0.91 ACACB (0.52) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL30483471 0.91 ACACB (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020257571-A1 METHODS OF MAKING BEMPEDOIC ACID AND COMPOSITIONS OF THE SAME ESPERION THERAPEUTICS, INC. (US) 2020-12-24 WO disclosed
WO-2020257573-A1 SALT FORMS OF BEMPEDOIC ACID AND METHODS FOR USING THE SAME ESPERION THERAPEUTICS, INC. (US) 2020-12-24 WO disclosed