Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL9764880

CC(c1ccc2c(c1)oc1ccccc12)N(O)C(N)=O.CCCC[N+](CCCC)(CCCC)CCCC

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALOX5 P09917 8/20 0.44
BCHE P06276 4/20 0.42
ACHE P22303 4/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9764905 0.88 ALOX5 (0.56) NPC1RAB9ASMN1; SMN2ALOX5BCHE
SCHEMBL10608085 0.86 ALOX5 (0.55) NPC1RAB9ASMN1; SMN2ALOX5BCHE
SCHEMBL9764910 0.78 BCHE (0.52) NPC1RAB9ASMN1; SMN2BCHEACHE
Ammonia Solution, Strong SCHEMBL9764871 0.77 BCHE (0.51) NPC1RAB9ASMN1; SMN2BCHEACHE
SCHEMBL10560306 0.75 NPC1 (0.49) NPC1RAB9ASMN1; SMN2BCHEACHE
SCHEMBL9764862 0.75 BCHE (0.49) NPC1RAB9ASMN1; SMN2ALOX5BCHE
SCHEMBL10593822 0.74 BCHE (0.44) NPC1RAB9ASMN1; SMN2BCHEACHE
SCHEMBL9764902 0.74 BCHE (0.48) NPC1RAB9ASMN1; SMN2ALOX5BCHE
SCHEMBL10563244 0.73 ALOX5 (0.45) ALOX5BCHEACHE
Tetrabuthylammonium SCHEMBL8807283 0.72 ALOX5 (0.72) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422079-A4 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE 1991-08-21 EP disclosed
EP-0422079-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1991-04-17 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed
EP-0346939-A1 Tricyclic lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-12-20 EP disclosed
US-4822811-A Carbazole lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1989-04-18 US disclosed
US-4769387-A Dibenzofuran lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1988-09-06 US disclosed