SCHEMBL8499853

SCHEMBL8499853

N#CCC1(COC(=O)c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.41
PRKCA P17252 3/20 0.40
F2 P00734 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL9269862 0.85 TDP1 (0.55) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL13042634 0.85 RAB9A (0.43) TDP1KMT2ALMNAALDH1A1PRKCA
SCHEMBL2475316 0.83 CA1 (0.45) TDP1LMNAPRKCANPC1RAB9A
SCHEMBL8496636 0.81 TDP1 (0.50) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL4151743 0.80 TDP1 (0.49) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL20288884 0.80 LMNA (0.54) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL1713120 0.78 TDP1 (0.50) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL25382118 0.77 JAK2 (0.35)
SCHEMBL20288431 0.76 TDP1 (0.45) TDP1MAPK1HIF1ASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL20267369 0.75 TDP1 (0.44) TDP1MAPK1HIF1ASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856322-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1999-01-05 US disclosed
EP-0480717-B1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1998-04-15 EP disclosed
EP-0500360-B1 Quinoline-containing ketoacids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1997-06-25 EP disclosed
US-5565473-A USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS; MONTELUKAST AND ITS SODIUM SALT MERCK FROSST CANADA, INC. (CA) 1996-10-15 US disclosed
US-5428033-A Useful as anti-asthmatic, anti-allergic, anti-inflammatory and cytoprotecyive agents MERCK FROSST CANADA, INC. (CA) 1995-06-27 US disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 US disclosed
US-5212180-A Quinoline-containing ketoacids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-05-18 US disclosed
EP-0500360-A1 Quinoline-containing ketoacids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-08-26 EP disclosed
EP-0480717-A1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 EP disclosed
EP-0480716-A1 Saturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 EP disclosed