SCHEMBL4160190

SCHEMBL4160190

COC(=O)C(C)c1ccccc1I

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.38
MT-CO2 P00403 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 3/20 0.37
KDM1A O60341 1/20 0.36
PLA2G1B P04054 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL20921259 1.00 KMT2A (0.44) KMT2APTGS1PTGS2ALDH1A1HPGD
SCHEMBL6017451 0.81 KMT2A (0.47) KMT2APTGS1PTGS2ALDH1A1MT-CO2
SCHEMBL6240135 0.81 KMT2A (0.47) KMT2APTGS1PTGS2ALDH1A1HPGD
SCHEMBL27706318 0.80 KMT2A (0.47) KMT2AALDH1A1MAPTL3MBTL1MEN1
SCHEMBL3928247 0.80 KMT2A (0.43) KMT2APTGS1PTGS2ALDH1A1MAPT
SCHEMBL3921752 0.80 KMT2A (0.43) KMT2AALDH1A1KDM1A
SCHEMBL1345444 0.79 GABRA1 (0.52) KMT2APTGS1PTGS2ALDH1A1MT-CO2
SCHEMBL31517035 0.79 GABRA1 (0.52) KMT2APTGS1PTGS2ALDH1A1MT-CO2
SCHEMBL5541713 0.79 LPAR1 (0.49) KMT2APTGS1PTGS2ALDH1A1HPGD
SCHEMBL15539819 0.79 KMT2A (0.42) KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114292226-B Compound with hydroxamic acid structure and preparation method and application thereof 沈阳药科大学 2023-04-18 CN disclosed
CN-113372184-A Method for synthesizing C-N axis chiral phenanthridinone compound based on chiral transfer strategy 武汉大学 2021-09-10 CN disclosed
CN-109776295-A A kind of aryl iodine compound and preparation method of the ortho position containing difluoro methylene 浙江师范大学 2019-05-21 CN disclosed
US-8264140-B2 Organic electroluminescence element and display device FUJI XEROX CO., LTD. (JP) 2012-09-11 US disclosed
US-20090039774-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND DISPLAY DEVICE FUJI XEROX CO., LTD. (JP) 2009-02-12 US disclosed
CN-1046711-C Unsaturated hydroxyalkyl quinoline carboxylic acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1999-11-24 CN disclosed
US-5856322-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1999-01-05 US disclosed
EP-0480717-B1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1998-04-15 EP disclosed
US-5565473-A USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS; MONTELUKAST AND ITS SODIUM SALT MERCK FROSST CANADA, INC. (CA) 1996-10-15 US disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 US disclosed
CN-1061407-A Unsaturated hydroxyalkyl quinoline carboxylic acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1992-05-27 CN disclosed
EP-0480717-A1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 EP disclosed