SCHEMBL22016458

SCHEMBL22016458

CC(C)(C)OC(=O)C(C)(C)CCCCCCCCCC(C)(C)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
DGAT1 O75907 1/20 0.43
ACLY P53396 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
TDP1 Q9NUW8 2/20 0.38
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TBXAS1 P24557 2/20 0.32
ELANE P08246 2/20 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
SCHEMBL25078774 0.92 CYP4F2 (0.50) CYP4F2CYP4A11MEN1KMT2AELANE
SCHEMBL19510111 0.92 CYP4F2 (0.50) CYP4F2CYP4A11MEN1KMT2AELANE
SCHEMBL21109970 0.92 CYP4F2 (0.50) CYP4F2CYP4A11MEN1KMT2AELANE
SCHEMBL23971207 0.90 CYP4F2 (0.44) CYP4F2CYP4A11DGAT1ACLYACACB
SCHEMBL23970490 0.90 CYP4F2 (0.44) CYP4F2CYP4A11DGAT1ACLYACACB
SCHEMBL17756699 0.89 CYP4F2 (0.47) CYP4F2CYP4A11DGAT1MEN1KMT2A
SCHEMBL17746739 0.89 CYP4F2 (0.61) CYP4F2CYP4A11DGAT1ACLYACACB
SCHEMBL31108876 0.88 ACLY (0.61) CYP4F2CYP4A11DGAT1ACLYTDP1
SCHEMBL1721309 0.87 CYP4F2 (0.42) CYP4F2CYP4A11DGAT1ACLYACACB
SCHEMBL10975657 0.87 CYP4F2 (0.42) CYP4F2CYP4A11DGAT1ACLYACACB

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-3653598-A1 PROCESSES AND INTERMEDIATES FOR PREPARING , -DICARBOXYLIC ACID-TERMINATED DIALKANE ETHERS Gemphire Therapeutics Inc. (US) 2020-05-20 EP disclosed