SCHEMBL9209846

SCHEMBL9209846

O=Cc1ccccc1C/C=C/c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.47
CYSLTR2 Q9NS75 8/20 0.47
GPBAR1 Q8TDU6 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL9209854 1.00 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1NPC1RAB9A
SCHEMBL9209292 0.87 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9119515 0.87 CYSLTR1 (0.49) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9119519 0.87 CYSLTR1 (0.49) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9209284 0.87 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9207526 0.85 CYSLTR1 (0.45) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9207522 0.85 CYSLTR1 (0.45) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9210175 0.84 CYSLTR2 (0.46) CYSLTR1CYSLTR2
SCHEMBL9210181 0.84 CYSLTR2 (0.46) CYSLTR1CYSLTR2
SCHEMBL9201281 0.84 CYSLTR1 (0.45) CYSLTR1CYSLTR2GPBAR1

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
EP-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 EP disclosed
US-5266568-A Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-11-30 US disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 EP disclosed