SCHEMBL9747317

SCHEMBL9747317

CCOC(=O)Nc1ccccc1CC=Cc1cccc(CCc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ PLA2G2A P14555 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYSLTR2 Q9NS75 1/20 0.36
▸ CYSLTR1 Q9Y271 1/20 0.36

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
SCHEMBL9207540 0.90 CYSLTR2 (0.40) PLA2G2ACYSLTR2CYSLTR1
SCHEMBL9207543 0.90 CYSLTR2 (0.40) PLA2G2ACYSLTR2CYSLTR1
SCHEMBL9209485 0.87 CYSLTR2 (0.37) CYSLTR2CYSLTR1
SCHEMBL9209480 0.87 CYSLTR2 (0.37) CYSLTR2CYSLTR1
SCHEMBL9746290 0.86 CYSLTR2 (0.47) CYSLTR2CYSLTR1
SCHEMBL9203800 0.82 PLA2G2A (0.50) PLA2G2A
SCHEMBL9203804 0.82 PLA2G2A (0.50) PLA2G2A
SCHEMBL9747322 0.79 — —
SCHEMBL9208190 0.79 CYSLTR2 (0.36) CYSLTR2CYSLTR1
SCHEMBL9208205 0.79 CYSLTR2 (0.36) CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 — — US disclosed
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