SCHEMBL8558979

SCHEMBL8558979

O=C(O)c1ccccc1[C@@H](O)CCc1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 5/20 0.50
▸ CYSLTR2 Q9NS75 4/20 0.50

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
SCHEMBL8558976 1.00 CYSLTR1 (0.50) CYSLTR1CYSLTR2
SCHEMBL8558974 1.00 CYSLTR1 (0.50) CYSLTR1CYSLTR2
Water SCHEMBL3030654 0.99 CYSLTR1 (0.49) CYSLTR1CYSLTR2
Water SCHEMBL3028013 0.99 CYSLTR1 (0.49) CYSLTR1CYSLTR2
Water SCHEMBL2079827 0.89 CYSLTR2 (0.48) CYSLTR1CYSLTR2
Water SCHEMBL2079831 0.89 CYSLTR2 (0.48) CYSLTR1CYSLTR2
SCHEMBL8553296 0.87 CYSLTR2 (0.44) CYSLTR1CYSLTR2
SCHEMBL8553304 0.87 CYSLTR2 (0.44) CYSLTR1CYSLTR2
SCHEMBL8553300 0.87 CYSLTR2 (0.44) CYSLTR1CYSLTR2
SCHEMBL21813084 0.84 CYSLTR1 (0.46) CYSLTR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840728-A1 HETEROARYL DIOL ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1998-05-13 — — EP disclosed
US-5750539-A ANTIASTHMATICS MERCK FROSST CANADA (CA) 1998-05-12 — — US disclosed
WO-1996040638-A1 HETEROARYL DIOL ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (US) 1996-12-19 — — WO disclosed
Send feedback