SCHEMBL9764898

SCHEMBL9764898

CCCC(=O)N(O)C(C)c1ccc2c(c1)oc1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.48
ACHE P22303 4/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9764910 0.84 BCHE (0.52) BCHEACHENPC1RAB9ASMN1; SMN2
SCHEMBL9764905 0.84 ALOX5 (0.56) BCHEACHENPC1RAB9ASMN1; SMN2
SCHEMBL9764900 0.83 ALOX5 (0.55) BCHEACHENPC1RAB9ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL9764871 0.83 BCHE (0.51) BCHEACHENPC1RAB9ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL10609854 0.83 BCHE (0.51) BCHEACHENPC1RAB9ASMN1; SMN2
SCHEMBL10608085 0.83 ALOX5 (0.55) BCHEACHENPC1RAB9ASMN1; SMN2
SCHEMBL9764862 0.81 BCHE (0.49) BCHEACHENPC1RAB9ASMN1; SMN2
SCHEMBL10560306 0.81 NPC1 (0.49) BCHEACHENPC1RAB9ASMN1; SMN2
Tetrabuthylammonium SCHEMBL9764880 0.81 NPC1 (0.44) BCHEACHENPC1RAB9ASMN1; SMN2
SCHEMBL9764902 0.80 BCHE (0.48) BCHEACHENPC1RAB9ASMN1; SMN2

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