SCHEMBL4729449

SCHEMBL4729449

CCN(CC)c1ccc(C=CC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
MAPT P10636 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
MAPK1 P28482 3/20 0.61
POLB P06746 3/20 0.61
RECQL P46063 2/20 0.61
TLR9 Q9NR96 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
USP2 O75604 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH3A1 P30838 1/20 0.58
ALDH1A3 P47895 1/20 0.58
NPSR1 Q6W5P4 1/20 0.56
CNR2 P34972 1/20 0.56
FGFR1 P11362 1/20 0.55
LMNA P02545 1/20 0.54
HCAR2 Q8TDS4 2/20 0.53
ESR1 P03372 2/20 0.53
ESR2 Q92731 2/20 0.53

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
SCHEMBL8313188 1.00 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL13574006 0.91 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL7772757 0.88 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL10976207 0.87 FGFR1 (0.68) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL2913259 0.87 FGFR1 (0.68) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL2913262 0.87 FGFR1 (0.68) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL23419138 0.86 HCAR2 (0.50) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL2027311 0.86 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL3733244 0.86 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL23866724 0.86 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2AMAPK1

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
US-11472943-B2 Polymerizable composition for optical material, optical material, and application thereof MITSUI CHEMICALS, INC. (JP) 2022-10-18 US disclosed
CN-110914322-B Polymerizable composition for optical material, and use thereof 三井化学株式会社 2022-08-23 CN disclosed
EP-3816282-A1 ENZYMES OF LUCIFERIN BIOSYNTHESIS AND USE THEREOF Light Bio, Inc (US) 2021-05-05 EP disclosed
US-20200207947-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND APPLICATION THEREOF MITSUI CHEMICALS, INC. (JP) 2020-07-02 US disclosed
CN-110914322-A Polymerizable composition for optical material, and use thereof 三井化学株式会社 2020-03-24 CN disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
EP-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 EP disclosed
US-5300639-A 2-oxo-3-carbonylamino-substituted azepine intermediates; lipoperoxide formation inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-05 US disclosed
US-5118806-A Enzyme inhibitor for lipoxygenase; useful for treating cancer, hepatic diseases, inflammation, cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-02 US disclosed
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed
US-4956360-A LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed
EP-0351856-A2 Thiazolo[5,4-b]azepine compounds Takeda Chemical Industries, Ltd. (JP) 1990-01-24 EP disclosed