Dectaflur

Dectaflur

SCHEMBL28822147

CCCCCCCC/C=C\CCCCCCCCN.CCCCN(C)C(C)(C)C(=O)OC

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 3/20 0.47
FAAH O00519 3/20 0.41
SOAT1 P35610 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 4/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL28007025 0.91 EPHX2 (0.47) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL28041871 0.82 KDM5A (0.41) SOAT1MEN1TP53CYP3A4KMT2A
SCHEMBL27510562 0.82 KDM5A (0.41) SOAT1MEN1TP53CYP3A4KMT2A
SCHEMBL28022866 0.82 KDM5A (0.41) SOAT1MEN1TP53CYP3A4KMT2A
SCHEMBL27256299 0.82 CA1 (0.36) SLC6A5ALDH1A1USP2LMNAPOLB
Octadecanoic Acid Amide SCHEMBL27896738 0.80 SOAT1 (0.42) FAAHSOAT1CYP1A2CYP2C19MEN1
Palmitamide SCHEMBL28030028 0.80 SOAT1 (0.42) FAAHSOAT1CYP1A2CYP2C19MEN1
Dectaflur SCHEMBL30785506 0.72 SLC6A5 (0.63) SLC6A5FAAHSOAT1CYP1A2CYP2C19
Methyl Oleate SCHEMBL28853856 0.72 SLC6A5 (0.64) SLC6A5FAAHSOAT1CYP1A2CYP2C19
Dectaflur SCHEMBL27822365 0.72 DNM1 (0.59) SLC6A5FAAHSOAT1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104995290-A Fabric softener RHODIA OPERATIONS 2015-10-21 CN claimed
CN-104995290-A Fabric softener RHODIA OPERATIONS 2015-10-21 CN disclosed