SCHEMBL10695960

SCHEMBL10695960

CC(CC(=O)O)CC(SCCC(=O)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 1/20 0.51
▸ CYSLTR1 Q9Y271 1/20 0.51

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
SCHEMBL10696813 0.93 — —
SCHEMBL10696145 0.86 CYSLTR2 (0.55) CYSLTR2CYSLTR1
SCHEMBL9258806 0.85 CYSLTR2 (0.60) CYSLTR2CYSLTR1
SCHEMBL10697254 0.85 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL10697037 0.84 — —
SCHEMBL9202038 0.83 CYSLTR1 (0.54) CYSLTR2CYSLTR1
SCHEMBL9207255 0.81 — —
SCHEMBL9207509 0.81 — —
SCHEMBL9264264 0.81 CYSLTR2 (0.56) CYSLTR2CYSLTR1
SCHEMBL9279125 0.81 — —

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
EP-0271287-A2 Quinoline dioic acids and amides MERCK FROSST CANADA INC. (CA) 1988-06-15 — — EP disclosed
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