Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL4563404

C=CCn1c(-c2ccccc2CO)c(C2CCCCC2)c2ccc(C(=O)OC)cc21.CCCC[N+](CCCC)(CCCC)CCCC.[F-]

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.36
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
CNR2 P34972 2/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NR1I2 O75469 1/20 0.32
SCN9A Q15858 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SCARB1 Q8WTV0 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 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
SCHEMBL3584923 0.92 PTGER4 (0.40) PTGER4PRKCAMMP12CNR2KDM4E
SCHEMBL2279301 0.82 KCNH2 (0.40) CNR2MAPTHPGDNR1I2SCN9A
SCHEMBL3583062 0.81 PRKCA (0.41) PTGER4PRKCAMMP12CNR2KDM4E
SCHEMBL3589949 0.81 PRKCA (0.40) PTGER4PRKCAMMP12CNR2KDM4E
SCHEMBL3585949 0.80 PRKCA (0.37) PTGER4PRKCAMMP12CNR2KDM4E
SCHEMBL3586034 0.79 PRKCA (0.38) PRKCAMMP12CNR2KDM4EHPGD
SCHEMBL4829898 0.77 SCN9A (0.38) PTGER4PRKCAMMP12CNR2KDM4E
SCHEMBL14435483 0.77 PRKCA (0.35) PRKCAMMP12CNR2KDM4EHPGD
SCHEMBL14263720 0.77 PRKCA (0.35) PRKCAMMP12CNR2KDM4EHPGD
SCHEMBL4825640 0.75 KDM4E (0.40) PTGER4PRKCAMMP12CNR2KDM4E

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
EP-2027125-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-02-25 EP disclosed
WO-2007129119-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-11-15 WO disclosed