SCHEMBL22016457

SCHEMBL22016457

CCOC(=O)C(C)(C)CCCCCOCCCCC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.65
CYP4A11 Q02928 3/20 0.65
HTT P42858 1/20 0.42
PKM P14618 2/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TBXAS1 P24557 1/20 0.36
CES2 O00748 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ELANE P08246 1/20 0.33
PRKCA P17252 1/20 0.33
ACLY P53396 1/20 0.33
ALOX15 P16050 1/20 0.32
MMP8 P22894 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
SCHEMBL17746731 0.95 CYP4F2 (0.71) CYP4F2CYP4A11HTTPKMTHRB
SCHEMBL17746745 0.95 CYP4F2 (0.71) CYP4F2CYP4A11HTTPKMTHRB
SCHEMBL20371022 0.93 CYP4F2 (0.69) CYP4F2CYP4A11HTTPKMTHRB
SCHEMBL3040974 0.93 CYP4F2 (0.68) CYP4F2CYP4A11HTTPKMTHRB
SCHEMBL17746737 0.91 CYP4F2 (0.66) CYP4F2CYP4A11HTTPKMTHRB
SCHEMBL17756704 0.89 CYP4F2 (0.63) CYP4F2CYP4A11HTTPKMTHRB
SCHEMBL17746734 0.89 CYP4F2 (0.63) CYP4F2CYP4A11HTTPKMTHRB
SCHEMBL27412011 0.89 CYP4F2 (0.63) CYP4F2CYP4A11HTTPKMTHRB
SCHEMBL6253618 0.89 CYP4F2 (0.63) CYP4F2CYP4A11HTTPKMTHRB
SCHEMBL17756705 0.89 CYP4F2 (0.63) CYP4F2CYP4A11HTTPKMTHRB

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