SCHEMBL4957634

SCHEMBL4957634

COC(=O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 14/20 0.60
▸ CYSLTR2 Q9NS75 10/20 0.60
▸ ABCC1 P33527 4/20 0.48
▸ ABCC2 Q92887 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ABCC3 O15438 1/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ ABCC5 O15440 1/20 0.48
▸ SLCO2B1 O94956 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ SLCO1B3 Q9NPD5 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ SLCO1B1 Q9Y6L6 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8500070 0.90 CYSLTR1 (0.55) CYSLTR1CYSLTR2ABCC1ABCC2KMT2A
SCHEMBL9208597 0.90 CYSLTR1 (0.55) CYSLTR1CYSLTR2ABCC1ABCC2KMT2A
SCHEMBL8500066 0.90 CYSLTR1 (0.55) CYSLTR1CYSLTR2ABCC1ABCC2KMT2A
SCHEMBL9208589 0.90 CYSLTR1 (0.55) CYSLTR1CYSLTR2ABCC1ABCC2KMT2A
SCHEMBL4416695 0.87 CYSLTR1 (0.60) CYSLTR1CYSLTR2ABCC1ABCC2KMT2A
SCHEMBL8301924 0.87 CYSLTR1 (0.64) CYSLTR1CYSLTR2KMT2AMEN1KDM4E
SCHEMBL4416693 0.87 CYSLTR1 (0.60) CYSLTR1CYSLTR2ABCC1ABCC2KMT2A
SCHEMBL8301927 0.87 CYSLTR1 (0.64) CYSLTR1CYSLTR2KMT2AMEN1KDM4E
SCHEMBL4416755 0.87 CYSLTR1 (0.56) CYSLTR1CYSLTR2ABCC1ABCC2KMT2A
SCHEMBL4416752 0.87 CYSLTR1 (0.56) CYSLTR1CYSLTR2ABCC1ABCC2KMT2A

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-2008035379-A2 PROCESS FOR AND INTERMEDIATES OF LEUKOTRIENE ANTAGONISTS APTUIT LAURUS PRIVATE LIMITED (IN) 2008-03-27 — — WO disclosed
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