SCHEMBL8698430

SCHEMBL8698430

CCOC(=O)c1cccc(N2CCOCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.63
PIK3CA P42336 1/20 0.62
JMJD6 Q6NYC1 1/20 0.60
SIRT2 Q8IXJ6 1/20 0.55
SIRT1 Q96EB6 1/20 0.55
PRKDC P78527 1/20 0.55
PLOD2 O00469 2/20 0.55
PLOD3 O60568 2/20 0.55
PLOD1 Q02809 2/20 0.55
ALOX5 P09917 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
MRGPRX4 Q96LA9 1/20 0.53
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 2/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL27576378 0.87 KMO (0.60) KMOPIK3CAJMJD6SIRT2SIRT1
SCHEMBL10144997 0.86 ALOX5 (0.60) SIRT2SIRT1ALOX5MEN1KMT2A
SCHEMBL3097713 0.86 ALOX5 (0.60) SIRT2SIRT1ALOX5MEN1KMT2A
SCHEMBL8698788 0.85 PLOD2 (0.56) PLOD2PLOD3PLOD1ALOX5MEN1
SCHEMBL4250883 0.85 KMO (0.68) KMOPRKDCPLOD2PLOD3PLOD1
SCHEMBL4690718 0.84 MEN1 (0.71) PIK3CASIRT2SIRT1MEN1KMT2A
SCHEMBL2306348 0.84 ALOX5 (0.58) ALOX5LMNAATMSMN1; SMN2ALDH1A1
SCHEMBL4357869 0.83 KMO (0.67) KMOPRKDCPLOD2PLOD3PLOD1
SCHEMBL14881542 0.83 ALOX5 (0.56) ALOX5MEN1KMT2ALMNAATM
SCHEMBL6011450 0.83 ALDH1A1 (0.56) ALOX5MEN1KMT2ALMNAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998047877-A1 2-BENZOYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HEPATIC PRODUCTION OF APOB-100 GLAXO GROUP LIMITED (GB) 1998-10-29 WO disclosed
US-5281720-A Antiasthmatics, antiallergens, antiinflammatory agents and cytoprotective agents MERCK FROSST CANADA, INC. 1994-01-25 US disclosed
US-5227399-A Pyranylphenyl naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1993-07-13 US disclosed
EP-0501579-A1 Naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed
EP-0501578-A1 Pyranylphenyl hydroxyalkylnaphthoic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed