SCHEMBL9827026

SCHEMBL9827026

CCCCOc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.77
LMNA P02545 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
KDM4E B2RXH2 2/20 0.59
TP53 P04637 1/20 0.59
MAOB P27338 1/20 0.58
MAPT P10636 6/20 0.57
NCOA1 Q15788 1/20 0.57
NCOA3 Q9Y6Q9 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 2/20 0.55
AHR P35869 1/20 0.55
PTGS1 P23219 1/20 0.55
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
FBP1 P09467 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
SCHEMBL9827029 1.00 PTGS2 (0.77) PTGS2LMNAMEN1KMT2ANPC1
SCHEMBL10485379 0.96 PTGS2 (0.71) PTGS2LMNAMEN1KMT2ANPC1
SCHEMBL2565246 0.90 MAPT (0.67) PTGS2MEN1KMT2ANPC1RAB9A
SCHEMBL1240044 0.87 MAPT (0.63) PTGS2MEN1KMT2ANPC1RAB9A
SCHEMBL9305563 0.86 PTGS2 (0.66) PTGS2LMNAMEN1KMT2ANPC1
SCHEMBL9305557 0.86 PTGS2 (0.66) PTGS2LMNAMEN1KMT2ANPC1
SCHEMBL9194999 0.86 PTGS2 (0.61) PTGS2LMNAMEN1KMT2ANPC1
SCHEMBL17609116 0.85 PTGS2 (0.65) PTGS2LMNAMEN1KMT2ANPC1
SCHEMBL19327352 0.85 PTGS2 (0.65) PTGS2LMNAMEN1KMT2ANPC1
SCHEMBL51004 0.85 MAPT (0.62) PTGS2MEN1KMT2ANPC1RAB9A

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-4868195-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY 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-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