SCHEMBL1008236

SCHEMBL1008236

C#Cc1ccc(CC=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HDAC8 Q9BY41 2/20 0.37
PTPN1 P18031 1/20 0.34
FFAR1 O14842 1/20 0.34
CYP2C9 P11712 2/20 0.32
AKR1C3 P42330 1/20 0.32
USP4 Q13107 1/20 0.31
USP7 Q93009 1/20 0.31
KEAP1 Q14145 1/20 0.31

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
SCHEMBL12424854 0.80 ASIC3 (0.38) CA12CA1CA2CA9CA14
SCHEMBL987797 0.79 ALDH1A1 (0.47) CA12CA1CA2CA4CA9
SCHEMBL6364651 0.79 MAOB (0.40)
SCHEMBL2240175 0.76 LOXL2 (0.54) CA12CA2CA9CA14
SCHEMBL8623109 0.76 CA12 (0.36) CA12CA1CA2CA4CA9
SCHEMBL975114 0.75 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL7776828 0.74 CA12 (0.43) CA12CA1CA2CA9CA14
SCHEMBL25629446 0.74 ADH1B (0.55) CA12CA1CA2CA4CA9
SCHEMBL20977216 0.74 MAOB (0.38) CA12CA1CA2CA4CA9
SCHEMBL3840593 0.74 HDAC8 (0.43) CA12CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110305098-B Flavone derivative, preparation method and application thereof, and whitening product containing flavone derivative 南方科技大学 2021-06-08 CN disclosed
EP-2975022-B1 NOVEL HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-05-08 EP disclosed
EP-2975022-A1 NOVEL HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2016-01-20 EP disclosed
EP-2934137-A1 PEST CONTROL AGENT Ishihara Sangyo Kaisha, Ltd. (JP) 2015-10-28 EP disclosed
WO-2014142298-A1 NOVEL HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2014-09-18 WO disclosed
WO-2014098259-A1 PEST CONTROL AGENT ISHIHARA SANGYO KAISHA, LTD. (JP) 2014-06-26 WO disclosed
EP-2576486-A2 CARBOCATALYSTS FOR CHEMICAL TRANSFORMATIONS Graphea, Inc. (US) 2013-04-10 EP disclosed
EP-2558069-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF Novartis AG (CH) 2013-02-20 EP disclosed
EP-2440245-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES Novartis AG (CH) 2012-04-18 EP disclosed
WO-2011150329-A2 CARBOCATALYSTS FOR CHEMICAL TRANSFORMATIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-12-01 WO disclosed
WO-2011130379-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF NOVARTIS AG (CH) 2011-10-20 WO disclosed
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 EP disclosed
WO-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 WO disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 WO disclosed
EP-1745006-A4 METHODS OF 1,3-ENYNE PREPARATION USING COPPER (I) CATALYSTS UNIV MASSACHUSETTS (US) 2008-04-23 EP disclosed
EP-1745006-A2 METHODS OF 1,3-ENYNE PREPARATION USING COPPER (I) CATALYSTS University of Massachusetts (US) 2007-01-24 EP disclosed
WO-2005116198-A2 METHODS OF 1,3-ENYNE PREPARATION USING COPPER (I) CATALYSTS UNIVERSITY OF MASSACHUSETTS (US) 2005-12-08 WO disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO disclosed