SCHEMBL625607

SCHEMBL625607

CCC(O)c1ccccc1[C@@H](CCO)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 2/20 0.52
▸ CYSLTR2 Q9NS75 1/20 0.52
▸ ABCC1 P33527 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ABCC3 O15438 1/20 0.49
▸ ABCC4 O15439 1/20 0.49
▸ ABCC5 O15440 1/20 0.49
▸ SLCO2B1 O94956 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ABCC2 Q92887 1/20 0.49
▸ SLCO1B3 Q9NPD5 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ SLCO1B1 Q9Y6L6 1/20 0.49

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
SCHEMBL15921355 0.90 CYSLTR1 (0.54) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL3131403 0.85 CYSLTR2 (0.56) CYSLTR1CYSLTR2MEN1ABCB11KMT2A
SCHEMBL3125908 0.85 CYSLTR2 (0.56) CYSLTR1CYSLTR2MEN1ABCB11KMT2A
SCHEMBL3132243 0.85 CYSLTR2 (0.56) CYSLTR1CYSLTR2MEN1ABCB11KMT2A
SCHEMBL3028209 0.85 CYSLTR2 (0.56) CYSLTR1CYSLTR2MEN1ABCB11KMT2A
SCHEMBL5493622 0.84 CYSLTR1 (0.58) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL3024409 0.84 — —
SCHEMBL5277582 0.83 CYSLTR1 (0.51) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL28005582 0.82 CYSLTR1 (0.54) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL3773862 0.82 CYSLTR1 (0.54) CYSLTR1CYSLTR2ABCC1MEN1ABCC3

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
WO-2012020271-A1 PROCESS FOR THE PREPARATION OF MONTELUKAST SODIUM RICHTER GEDEON NYRT. (HU) 2012-02-16 — — WO disclosed
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