SCHEMBL9209480

SCHEMBL9209480

CC(C)(C)C(=O)Nc1ccccc1C/C=C/c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 1/20 0.37
▸ CYSLTR1 Q9Y271 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37

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
SCHEMBL9209485 1.00 CYSLTR2 (0.37) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL9207543 0.90 CYSLTR2 (0.40) CYSLTR2CYSLTR1
SCHEMBL9207540 0.90 CYSLTR2 (0.40) CYSLTR2CYSLTR1
SCHEMBL9747317 0.87 ALDH1A1 (0.37) CYSLTR2CYSLTR1
SCHEMBL9203800 0.82 PLA2G2A (0.50) —
SCHEMBL9203804 0.82 PLA2G2A (0.50) —
SCHEMBL9208190 0.82 CYSLTR2 (0.36) CYSLTR2CYSLTR1
SCHEMBL9208205 0.82 CYSLTR2 (0.36) CYSLTR2CYSLTR1
SCHEMBL9208189 0.80 PTGER4 (0.37) —
SCHEMBL9208201 0.80 PTGER4 (0.37) —

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 4 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-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
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