SCHEMBL27596160

SCHEMBL27596160

COC(=O)C(C)(C)CCCCC[S+]([O-])CCCCC(C)C(C)(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ACLY P53396 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
SCHEMBL27578128 0.84 ACLY (0.45) ACACBACACACYP4F2CYP4A11ACLY
SCHEMBL6692896 0.84 CYP4F2 (0.42) ACACBACACACYP4F2CYP4A11ACLY
SCHEMBL27596099 0.82 ACLY (0.42) ACACBACACACYP4F2CYP4A11ACLY
SCHEMBL6691583 0.82 CYP4F2 (0.40) ACACBACACACYP4F2CYP4A11ACLY
SCHEMBL27596155 0.78
SCHEMBL6505133 0.76 CYP4F2 (0.36) CYP4F2CYP4A11
SCHEMBL6502656 0.73 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL6507160 0.73 ACLY (0.55) ACACBACACACYP4F2CYP4A11ACLY
SCHEMBL11745937 0.72 ACACB (0.49) ACACBACACACYP4F2CYP4A11ACLY
SCHEMBL32680456 0.71 ALDH1A1 (0.37) ACACBACACA

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-1479721-A Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol therapy and related applications ͨ��ҽ�ƹ�˾ 2004-03-03 CN disclosed