SCHEMBL9827799

SCHEMBL9827799

COc1ccc(CC(=O)CCc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MAPT P10636 3/20 0.57
MEN1 O00255 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 2/20 0.53
KCNH2 Q12809 2/20 0.53
CCR5 P51681 1/20 0.51
TTR P02766 1/20 0.50
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP19A1 P11511 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL9827937 0.89 KMT2A (0.58) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL8071144 0.85 ALOX5 (0.60) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL9827940 0.82 ACHE (0.64) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL8790935 0.81 KMT2A (0.55) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL9523677 0.80 KMT2A (0.60) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL8790387 0.80 CDK8 (0.67) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL5957779 0.79 KMT2A (0.62) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL24221950 0.78 L3MBTL1 (0.65) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL9827804 0.78 KCNH2 (0.56) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL3579994 0.77 ALOX5 (0.66) KMT2AMEN1ALDH1A1POLBKDM4E

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