SCHEMBL9764830

SCHEMBL9764830

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.52
ACHE P22303 4/20 0.52
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
AHR P35869 1/20 0.41
MAOA P21397 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CYP2D6 P10635 1/20 0.39
TNKS O95271 1/20 0.38
PARP1 P09874 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
SCHEMBL9764905 0.81 ALOX5 (0.56) BCHEACHEMEN1KMT2ANPC1
SCHEMBL9764910 0.81 BCHE (0.52) BCHEACHEMEN1KMT2ANPC1
SCHEMBL10608085 0.80 ALOX5 (0.55) BCHEACHEMEN1KMT2ANPC1
SCHEMBL9764900 0.80 ALOX5 (0.55) BCHEACHEMEN1KMT2ANPC1
Ammonia Solution, Strong SCHEMBL9764871 0.80 BCHE (0.51) BCHEACHEMEN1KMT2ANPC1
Ammonia Solution, Strong SCHEMBL10609854 0.80 BCHE (0.51) BCHEACHEMEN1KMT2ANPC1
SCHEMBL9764902 0.79 BCHE (0.48) BCHEACHEMEN1KMT2ANPC1
SCHEMBL9764898 0.79 BCHE (0.48) BCHEACHEMEN1KMT2ANPC1
SCHEMBL9764862 0.77 BCHE (0.49) BCHEACHEMEN1KMT2ANPC1
SCHEMBL10560306 0.77 NPC1 (0.49) BCHEACHEMEN1KMT2ANPC1

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