SCHEMBL27475143

SCHEMBL27475143

CC(C)(O)c1ccccc1CC[CH]c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 3/20 0.58
▸ CYP2C8 P10632 2/20 0.58
▸ CYSLTR2 Q9NS75 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ABCB11 O95342 1/20 0.58
▸ EGFR P00533 1/20 0.58
▸ ESR1 P03372 1/20 0.58
▸ NR3C1 P04150 1/20 0.58
▸ FYN P06241 1/20 0.58
▸ PGR P06401 1/20 0.58
▸ ADRB2 P07550 1/20 0.58
▸ ADRB1 P08588 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ CHRM1 P11229 1/20 0.58
▸ ADRB3 P13945 1/20 0.58
▸ ADRA2B P18089 1/20 0.58

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
SCHEMBL27531782 1.00 CYSLTR1 (0.58) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL1204661 0.87 CYSLTR1 (0.54) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL1204663 0.87 CYSLTR1 (0.54) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL626376 0.87 CYP2C8 (0.56) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL2028786 0.87 CYP2C8 (0.56) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL13699137 0.87 CYP2C8 (0.56) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL205211 0.84 CYSLTR1 (0.58) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL1592780 0.84 CYSLTR1 (0.66) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL201921 0.84 CYSLTR1 (0.66) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL1150080 0.84 CYSLTR1 (0.66) CYSLTR1CYP2C8CYSLTR2MEN1RECQL

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1287792-C Dispersive tablet of montelukast sodium LUNAN PHARM GROUP CORP (CN) 2006-12-06 — — CN claimed
CN-1171873-C Preparation method of Menlust sodium and its preparation intermediate 北京上地新世纪生物医药研究所 2004-10-20 — — CN claimed
CN-1428335-A Preparation method of Menlust sodium and its preparation intermediate BEIJING SHANGDI XINSHIJI BIOLO (CN) 2003-07-09 — — CN claimed
CN-1420113-A Method for preparing Menglusitena and intermediate preparation thereof SHANGDI XINSHIJI BIO MEDICAL I (CN) 2003-05-28 — — CN claimed
CN-102690229-A Brand new synthesis of Montelukast Sodium and its preparation intermediates SHANGHAI XIANGHUI MEDICAL TECHNOLOGY CO LTD 2012-09-26 — — CN disclosed
CN-102424673-A Montelukast sodium intermediate and synthesis method of montelukast sodium ZHEJIANG HISUN PHARM CO LTD 2012-04-25 — — CN disclosed
CN-101081834-B Process for the preparation of leukotriene antagonists MERCK & CO INC 2011-08-24 — — CN disclosed
CN-101558042-B Method of preparing montelukast and intermediates used therein HANMI PHARM IND CO LTD 2011-05-18 — — CN disclosed
CN-101808998-A Method for the preparation of montelukast acid in ionic liquid medium HANMI PHARM IND CO LTD 2010-08-18 — — CN disclosed
CN-101558042-A Method of preparing montelukast and intermediates used therein HANMI PHARM IND CO LTD (KR) 2009-10-14 — — CN disclosed
CN-101081834-A Process for the preparation of leukotriene antagonists MERCK & CO INC (US) 2007-12-05 — — CN disclosed
CN-1326837-C Process for preparation of leukotriene antagonists MERCK & CO INC (US) 2007-07-18 — — CN disclosed
CN-1171873-C Preparation method of Menlust sodium and its preparation intermediate 北京上地新世纪生物医药研究所 2004-10-20 — — CN disclosed
CN-1428335-A Preparation method of Menlust sodium and its preparation intermediate BEIJING SHANGDI XINSHIJI BIOLO (CN) 2003-07-09 — — CN disclosed
CN-1420113-A Method for preparing Menglusitena and intermediate preparation thereof SHANGDI XINSHIJI BIO MEDICAL I (CN) 2003-05-28 — — CN disclosed
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