SCHEMBL9201205

SCHEMBL9201205

COC(=O)c1cccc(SC(c2cccc(OCc3ccc4ccc(Cl)cc4n3)c2)c2cccc(C(=O)OC)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 2/20 0.57
▸ CYSLTR2 Q9NS75 1/20 0.47

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
SCHEMBL9207470 0.92 CYSLTR1 (0.58) CYSLTR1CYSLTR2
SCHEMBL9207625 0.91 CYSLTR1 (0.54) CYSLTR1CYSLTR2
SCHEMBL9201199 0.89 CYSLTR1 (0.49) CYSLTR1CYSLTR2
SCHEMBL9205351 0.87 CYSLTR1 (0.63) CYSLTR1CYSLTR2
SCHEMBL9205169 0.86 CYSLTR1 (0.55) CYSLTR1CYSLTR2
SCHEMBL9202854 0.84 CYSLTR1 (0.52) CYSLTR1CYSLTR2
SCHEMBL9209515 0.83 CYSLTR1 (0.55) CYSLTR1CYSLTR2
SCHEMBL9202938 0.82 CYSLTR1 (0.51) CYSLTR1CYSLTR2
SCHEMBL9204929 0.80 CYSLTR1 (0.53) CYSLTR1CYSLTR2
SCHEMBL9206568 0.80 CYSLTR1 (0.53) 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-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 — — EP disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 — — EP disclosed
EP-0318093-A2 Diarylquinoline diacids and their use as medicaments MERCK FROSST CANADA INC. (CA) 1989-05-31 — — EP disclosed
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