SCHEMBL9826744

SCHEMBL9826744

COc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)c(OC)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.80
CYP1A2 P05177 11/20 0.70
CYP1A1 P04798 11/20 0.70
CYP1B1 Q16678 11/20 0.70
NFE2L2 Q16236 3/20 0.70
PTGS2 P35354 3/20 0.65
PTGS1 P23219 1/20 0.65
CYP19A1 P11511 2/20 0.63
MAPT P10636 3/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2E1 P05181 1/20 0.60
CYP2C8 P10632 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2A6 P11509 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP4B1 P13584 1/20 0.60
CYP2B6 P20813 1/20 0.60
CYP3A5 P20815 1/20 0.60
CYP2A7 P20853 1/20 0.60

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
SCHEMBL9826746 1.00 TLR9 (0.80) TLR9CYP1A2CYP1A1CYP1B1NFE2L2
SCHEMBL13018896 0.90 PTGS2 (0.78) TLR9CYP1A2CYP1A1CYP1B1NFE2L2
SCHEMBL3054759 0.87 TLR9 (0.76) TLR9CYP1A2CYP1A1CYP1B1NFE2L2
SCHEMBL3054757 0.87 TLR9 (0.76) TLR9CYP1A2CYP1A1CYP1B1NFE2L2
SCHEMBL17991986 0.86 TLR9 (0.65) TLR9CYP1A2CYP1A1CYP1B1NFE2L2
SCHEMBL6721800 0.86 TLR9 (0.71) TLR9CYP1A2CYP1A1CYP1B1NFE2L2
SCHEMBL5495428 0.83 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1NFE2L2CYP19A1
SCHEMBL1005735 0.83 PTGS2 (0.78) TLR9NFE2L2PTGS2PTGS1CYP19A1
SCHEMBL5495431 0.83 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1NFE2L2CYP19A1
SCHEMBL1005734 0.83 PTGS2 (0.78) TLR9NFE2L2PTGS2PTGS1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221346-B1 (N-SUBSTITUTED-2-HYDROXY) BENZAMIDES AND N-SUBSTITUTED-2-HYDROXY-ALPHA-OXO-BENZENEACETAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF HAVING ACTIVITY AS MODULATORS OF THE ARACHIDONIC ACID CASCADE WARNER-LAMBERT COMPANY (US) 1991-01-30 EP disclosed
US-4939133-A N-substituted-2-hydroxy-α-oxo-benzeneacetamides and pharmaceutical compositions having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1990-07-03 US disclosed
US-4921871-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1990-05-01 US disclosed
US-4874758-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-10-17 US disclosed
US-4868205-A ANTIALLERGENS, ANTIINFLAMMATORY, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868195-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868200-A LEUKOTRIENES, LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868199-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4761424-A Enolamides, pharmaceutical compositions and methods for treating inflammation WARNER-LAMBERT COMPANY (US) 1988-08-02 US disclosed
EP-0221346-A1 (N-substituted-2-hydroxy) benzamides and N-substituted-2-hydroxy-alpha-oxo-benzeneacetamides and pharmaceutical compositions thereof having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 EP disclosed
EP-0221345-A1 Novel enolamides, process for their manufacture and pharmaceutical compositions thereof with an activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 EP disclosed