SCHEMBL3379640

SCHEMBL3379640

Cc1cccc(C(=O)O)c1CCC(=O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 8/20 0.49
▸ CYSLTR2 Q9NS75 6/20 0.49
▸ ABCC1 P33527 3/20 0.46
▸ ABCC2 Q92887 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ABCC3 O15438 1/20 0.46
▸ ABCC4 O15439 1/20 0.46
▸ ABCC5 O15440 1/20 0.46
▸ SLCO2B1 O94956 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SLCO1B3 Q9NPD5 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ SLCO1B1 Q9Y6L6 1/20 0.46

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
SCHEMBL14843924 0.90 CYSLTR1 (0.47) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL692871 0.86 CYSLTR2 (0.52) CYSLTR1CYSLTR2
SCHEMBL692870 0.86 CYSLTR2 (0.52) CYSLTR1CYSLTR2
SCHEMBL5810773 0.85 CYSLTR1 (0.44) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL13950635 0.85 CYSLTR2 (0.50) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL14843776 0.84 CYSLTR1 (0.49) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL29055600 0.83 CYSLTR2 (0.50) CYSLTR1CYSLTR2
SCHEMBL2789885 0.82 CYSLTR1 (0.54) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL1947901 0.82 CYSLTR1 (0.54) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL457833 0.82 CYSLTR1 (0.54) CYSLTR1CYSLTR2ABCC1ABCC2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104928265-A Ketone reductase mutant and preparation and application thereof ALPHA PHARMACEUTICAL CO LTD JIANGSU PROVINCE 2015-09-23 — — CN disclosed
WO-2010064109-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF MONTELUKAST SODIUM AND ITS INTERMEDIATES MAYUKA LABS PRIVATE LIMITED (IN) 2010-06-10 — — WO disclosed
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