SCHEMBL9828449

SCHEMBL9828449

COc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.70
CYP19A1 P11511 2/20 0.70
MAPT P10636 8/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
NPSR1 Q6W5P4 2/20 0.57
NTSR1 P30989 1/20 0.57
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 3/20 0.54
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
HPGD P15428 1/20 0.53
TLR9 Q9NR96 1/20 0.53

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
SCHEMBL10384543 1.00 PTGS2 (0.70) PTGS2CYP19A1MAPTSMN1; SMN2NPC1
SCHEMBL9826509 0.93 CYP19A1 (0.57) PTGS2CYP19A1MAPTSMN1; SMN2NPC1
SCHEMBL9826515 0.93 CYP19A1 (0.57) PTGS2CYP19A1MAPTSMN1; SMN2NPC1
SCHEMBL2063456 0.86 MAPT (0.67) CYP19A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30721937 0.86 MAPT (0.67) CYP19A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9587052 0.86 CYP1A1 (0.65) KDM4EALDH1A1LMNAPDCD1CD274
SCHEMBL9587050 0.86 CYP1A1 (0.65) KDM4EALDH1A1LMNAPDCD1CD274
SCHEMBL5431117 0.85 LMNA (0.69) MAPTSMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL5431119 0.85 LMNA (0.69) MAPTSMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL6474599 0.83 PTGS2 (1.00) PTGS2CYP19A1MAPTSMN1; SMN2NPC1

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-4868200-A LEUKOTRIENES, LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-09-19 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-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