SCHEMBL8496643

SCHEMBL8496643

O=C(OC(CO)C1CC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 3/20 0.48
LMNA P02545 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
PRKCA P17252 1/20 0.44
IDO1 P14902 1/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
SLC6A2 P23975 2/20 0.43
F2 P00734 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL8447587 0.83 MAOA (0.47) TSHRTP53SLC6A4SLC6A3LMNA
SCHEMBL570849 0.82 LMNA (0.56) TSHRTP53SLC6A4SLC6A3LMNA
Hydrochloric Acid SCHEMBL29273069 0.81 LMNA (0.46) TSHRTP53SLC6A4SLC6A3LMNA
SCHEMBL569609 0.81 LMNA (0.58) TSHRTP53SLC6A4SLC6A3LMNA
SCHEMBL14487219 0.81 LMNA (0.58) TSHRTP53SLC6A4SLC6A3LMNA
SCHEMBL14201313 0.80 TSHR (0.45) TSHRTP53SLC6A4SLC6A3LMNA
SCHEMBL28806235 0.79 TSHR (0.55) TSHRTP53SLC6A4SLC6A3LMNA
SCHEMBL26355102 0.78 LMNA (0.56) TSHRTP53SLC6A4SLC6A3LMNA
SCHEMBL28859719 0.77 PDCD1 (0.56) TSHRTP53SLC6A4SLC6A3LMNA
SCHEMBL18759618 0.77 PDCD1 (0.56) TSHRTP53SLC6A4SLC6A3LMNA

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