SCHEMBL28322005

SCHEMBL28322005

CCC(CC)(CCCCC(CC)(C(=O)O)C(C)(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
ARG1 P05089 2/20 0.33
ARG2 P78540 2/20 0.33
ACLY P53396 1/20 0.32
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32

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
SCHEMBL9181629 0.83 CYP4F2 (0.47) CYP4F2CYP4A11ARG1ARG2ACLY
SCHEMBL525645 0.82 AKR1B1 (0.34) FFAR1TDP1
SCHEMBL9183579 0.81 CYP4F2 (0.45) CYP4F2CYP4A11ARG1ARG2ACLY
SCHEMBL27949090 0.81 ACLY (0.53) CYP4F2CYP4A11ARG1ARG2ACLY
Bicarbonate SCHEMBL12502157 0.80 AKR1B1 (0.33) FFAR1TDP1
SCHEMBL8918324 0.79 CYP4F2 (0.41) CYP4F2CYP4A11FFAR1TDP1
SCHEMBL27603862 0.79
SCHEMBL9177295 0.79 CYP4F2 (0.42) CYP4F2CYP4A11ARG1ARG2ACLY
SCHEMBL28575669 0.78 ALDH1A1 (0.42) FFAR1TDP1
SCHEMBL9185265 0.78 ACLY (0.53) CYP4F2CYP4A11ARG1ARG2ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117425654-A 2, 8-diazaspiro [4.5] decane compounds 基因泰克公司 2024-01-19 CN disclosed
CN-115536661-A Resolution of optically active diazaspiro [4.5] decane derivatives 奥塔万特科学股份有限公司 2022-12-30 CN disclosed
CN-110177790-B Resolution of optically active diazaspiro [4.5] decane derivatives 奥塔万特科学股份有限公司 2022-10-14 CN disclosed
CN-110177790-A Resolution of optically active diazaspiro [4.5] decane derivatives 奥塔万特科学股份有限公司 2019-08-27 CN disclosed