SCHEMBL17772128

SCHEMBL17772128

CC(C)(CCCCC(CCCCC1(C(=O)ON)CC1)ON)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.42
▸ ACACA Q13085 1/20 0.42
▸ ACLY P53396 1/20 0.34
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33

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
SCHEMBL17772142 0.84 CYP4F2 (0.38) CYP4F2CYP4A11
SCHEMBL17772118 0.81 ACACB (0.35) ACACBACACACYP4F2CYP4A11
SCHEMBL31108901 0.77 ACACB (0.48) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL798475 0.74 CYP4F2 (0.50) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL186855 0.73 ACACB (0.66) ACACBACACAACLY
SCHEMBL2737164 0.72 ACACB (0.51) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL186569 0.72 ACACB (0.69) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL773091 0.72 ACLY (0.50) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL1151614 0.71 ACACB (0.46) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL13818712 0.71 ACACB (0.67) ACACBACACAACLYCYP4F2CYP4A11

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
EP-2402300-B1 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2016-05-25 — — EP disclosed
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