SCHEMBL3228018

SCHEMBL3228018

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

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 13/20 0.59
▸ CYSLTR2 Q9NS75 9/20 0.59
▸ PTPRC P08575 1/20 0.55
▸ PTPN1 P18031 1/20 0.55
▸ ABCC1 P33527 2/20 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
▸ ABCC2 Q92887 1/20 0.52
▸ SLCO1B3 Q9NPD5 1/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ SLCO1B1 Q9Y6L6 1/20 0.52
▸ TTR P02766 1/20 0.51

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
SCHEMBL13985849 1.00 CYSLTR1 (0.59) CYSLTR1CYSLTR2PTPRCPTPN1ABCC1
SCHEMBL4961219 0.90 CYSLTR1 (0.58) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL8499287 0.89 CYSLTR1 (0.62) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL8499280 0.89 CYSLTR1 (0.62) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL4416693 0.89 CYSLTR1 (0.60) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL4416695 0.89 CYSLTR1 (0.60) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL9691057 0.87 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL9691054 0.87 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL690791 0.86 CYSLTR1 (0.58) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL32665692 0.86 CYSLTR1 (0.55) 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 5 patents. 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 claimed
WO-2008035379-A3 PROCESS FOR AND INTERMEDIATES OF LEUKOTRIENE ANTAGONISTS APTUIT LAURUS PRIVATE LIMITED (IN) 2010-02-18 — — WO disclosed
WO-2009001374-A2 PREPARATION OF ETHYL-3'-[((7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL]-3-OXOPROPANOATE, A KEY INTERMEDIATE FOR MONTELUKAST SODIUM APTUIT LAURUS PVT LTD (IN) 2008-12-31 — — WO disclosed
WO-2008035379-A2 PROCESS FOR AND INTERMEDIATES OF LEUKOTRIENE ANTAGONISTS APTUIT LAURUS PRIVATE LIMITED (IN) 2008-03-27 — — WO disclosed
WO-2008035379-A2 PROCESS FOR AND INTERMEDIATES OF LEUKOTRIENE ANTAGONISTS APTUIT LAURUS PRIVATE LIMITED (IN) 2008-03-27 — — WO disclosed
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