SCHEMBL9255522

SCHEMBL9255522

COC(=O)CC1(CS[C@H](CCc2ccccc2C(C)(C)O)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 19/20 0.88
CYSLTR1 Q9Y271 19/20 0.88
MEN1 O00255 1/20 0.65
RECQL P46063 1/20 0.65
BLM P54132 1/20 0.65
KMT2A Q03164 1/20 0.65

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
SCHEMBL8122391 1.00 CYSLTR2 (0.88) CYSLTR2CYSLTR1MEN1RECQLBLM
SCHEMBL8122390 1.00 CYSLTR2 (0.88) CYSLTR2CYSLTR1MEN1RECQLBLM
SCHEMBL8123008 0.94 CYSLTR2 (0.77) CYSLTR2CYSLTR1MEN1RECQLBLM
SCHEMBL8123012 0.94 CYSLTR2 (0.77) CYSLTR2CYSLTR1MEN1RECQLBLM
SCHEMBL5200473 0.94 CYSLTR2 (1.00) CYSLTR2CYSLTR1MEN1RECQLBLM
SCHEMBL5200470 0.94 CYSLTR2 (1.00) CYSLTR2CYSLTR1MEN1RECQLBLM
SCHEMBL5200477 0.94 CYSLTR2 (1.00) CYSLTR2CYSLTR1MEN1RECQLBLM
SCHEMBL8127534 0.92 CYSLTR2 (0.88) CYSLTR2CYSLTR1MEN1RECQLBLM
SCHEMBL9250136 0.92 CYSLTR2 (0.88) CYSLTR2CYSLTR1MEN1RECQLBLM
SCHEMBL8127536 0.92 CYSLTR2 (0.88) CYSLTR2CYSLTR1MEN1RECQLBLM

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-5472964-A Diaryl 5,6-fused heterocyclic acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1995-12-05 US disclosed