SCHEMBL30530485

SCHEMBL30530485

C=CC(O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 7/20 0.59
▸ CYSLTR2 Q9NS75 5/20 0.59
▸ ABCC1 P33527 4/20 0.52
▸ ABCC2 Q92887 3/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ABCC3 O15438 1/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ ABCC5 O15440 1/20 0.52
▸ SLCO2B1 O94956 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SLCO1B3 Q9NPD5 1/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ SLCO1B1 Q9Y6L6 1/20 0.52

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
SCHEMBL626121 1.00 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL3331416 1.00 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL27878813 0.88 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL28026167 0.88 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL27878868 0.88 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL27970791 0.88 CYSLTR1 (0.61) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL28947806 0.88 CYSLTR1 (0.61) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL15748690 0.86 CYSLTR1 (0.56) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL4416822 0.85 CYSLTR1 (0.61) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL4416819 0.85 CYSLTR1 (0.61) 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-116969999-A Synthesis and application of novel bidentate nitrogen ligand palladium complex 台州爱申特科技有限公司 2023-10-31 — — CN disclosed
CN-112430177-B Synthesis method of montelukast sodium intermediate 凯特立斯(深圳)科技有限公司 2023-08-25 — — CN disclosed
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