SCHEMBL13352394

SCHEMBL13352394

CC(C)(C)c1ccccc1CCCc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 2/20 0.54
▸ MEN1 O00255 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ NR3C1 P04150 1/20 0.48
▸ FYN P06241 1/20 0.48
▸ PGR P06401 1/20 0.48
▸ ADRB2 P07550 1/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ CYP2C8 P10632 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ ADRB3 P13945 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ ADRA2C P18825 1/20 0.48

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
SCHEMBL2028786 0.92 CYP2C8 (0.56) CYSLTR1MEN1RECQLBLMKMT2A
SCHEMBL13699137 0.92 CYP2C8 (0.56) CYSLTR1MEN1RECQLBLMKMT2A
SCHEMBL626376 0.92 CYP2C8 (0.56) CYSLTR1MEN1RECQLBLMKMT2A
SCHEMBL13352258 0.83 CYSLTR1 (0.43) CYSLTR1MEN1RECQLBLMKMT2A
SCHEMBL12856340 0.83 CYSLTR2 (0.45) CYSLTR1CYSLTR2
SCHEMBL12267469 0.83 CYSLTR2 (0.49) CYSLTR1CYSLTR2
SCHEMBL20921968 0.82 CYP2C8 (0.46) CYSLTR1MEN1RECQLBLMKMT2A
SCHEMBL14620846 0.81 CYSLTR2 (0.44) CYSLTR1CYSLTR2
SCHEMBL12528243 0.81 CYSLTR1 (0.64) CYSLTR1MEN1RECQLBLMKMT2A
SCHEMBL14113728 0.81 CYP2C8 (0.45) CYSLTR1MEN1RECQLBLMKMT2A

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-2181986-A1 Process for the preparation of a precursor of montelukast Synthon B.V. (NL) 2010-05-05 — — EP disclosed
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