SCHEMBL2050999

SCHEMBL2050999

C=CCOC(=O)c1cccc(C(=C)c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP3A4 P08684 1/20 0.37
▸ SNCA P37840 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FGFR1 P11362 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35

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
SCHEMBL4957637 0.83 MAPT (0.44) MEN1KMT2AALDH1A1L3MBTL1NPC1
SCHEMBL3228023 0.80 CNR2 (0.43) MEN1KMT2AALDH1A1L3MBTL1NPC1
SCHEMBL2050997 0.79 CYSLTR1 (0.53) MEN1KMT2AABCG2CYSLTR2CYSLTR1
SCHEMBL1882737 0.77 CYP3A4 (0.53) MEN1KMT2ACYP3A4SNCAALDH1A1
SCHEMBL9335553 0.76 UNG (0.41) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL16372021 0.75 CYP3A4 (0.61) MEN1KMT2ACYP3A4SNCAALDH1A1
SCHEMBL157805 0.75 CYP3A4 (0.61) MEN1KMT2ACYP3A4SNCAALDH1A1
SCHEMBL9757049 0.75 NR4A2 (0.41) MEN1KMT2AALDH1A1MAPTCNR2
SCHEMBL9756946 0.74 CYSLTR2 (0.45) MEN1KMT2ACYP3A4ALDH1A1L3MBTL1
SCHEMBL9335423 0.74 PRSS1 (0.38) NPC1MAPTHTTRAB9ACNR2

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 6 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-2009001374-A3 PREPARATION OF ETHYL-3'-[((7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL]-3-OXOPROPANOATE, A KEY INTERMEDIATE FOR MONTELUKAST SODIUM APTUIT LAURUS PVT LTD (IN) 2011-06-30 — — WO disclosed
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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