SCHEMBL3342416

SCHEMBL3342416

O=C1C=Cc2ccc3c4c(ccc1c24)C(=O)c1ccccc1-3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
PABPC1 P11940 2/20 0.48
DNMT1 P26358 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
PTPRC P08575 5/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 3/20 0.46
CES1 P23141 3/20 0.46
IDO1 P14902 2/20 0.46
BCHE P06276 2/20 0.46
THRB P10828 2/20 0.46
RECQL P46063 2/20 0.46
HPGD P15428 2/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL8205281 1.00 CYP3A4 (0.48) CYP3A4PABPC1DNMT1CASP1CASP7
SCHEMBL30606645 0.80 DNMT1 (0.70) CYP3A4PABPC1DNMT1CASP1CASP7
SCHEMBL31500772 0.80 DNMT1 (0.70) CYP3A4PABPC1DNMT1CASP1CASP7
SCHEMBL30583766 0.80 DNMT1 (0.70) CYP3A4PABPC1DNMT1CASP1CASP7
SCHEMBL43327 0.80 DNMT1 (0.70) CYP3A4PABPC1DNMT1CASP1CASP7
SCHEMBL5072170 0.80 DNMT1 (0.70) CYP3A4PABPC1DNMT1CASP1CASP7
SCHEMBL1310003 0.80 CDC25B (0.46) CYP3A4CASP1CASP7MEN1KMT2A
SCHEMBL236503 0.80 CDC25B (0.46) CYP3A4CASP1CASP7MEN1KMT2A
SCHEMBL31500774 0.80 DNMT1 (0.70) CYP3A4PABPC1DNMT1CASP1CASP7
SCHEMBL30365479 0.80 DNMT1 (0.70) CYP3A4PABPC1DNMT1CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112798695-A Method for simultaneously detecting benzo [ a ] pyrene and metabolite thereof and application thereof 中国科学院深圳先进技术研究院 2021-05-14 CN disclosed
EP-3287136-A1 COMPOSITION FOR PREVENTING OR TREATING CELL DAMAGE INCLUDING YOUNGIA DENTICULATA EXTRACT Incospharm Corporation (KR) 2018-02-28 EP disclosed
US-20180050225-A1 COMPOSITION FOR PREVENTING OR TREATING CELL DAMAGE INCLUDING YOUNGIA DENTICULATA EXTRACT INCOSPHARM CORPORATION (KR) 2018-02-22 US disclosed
US-20170121746-A1 Method For Preparing Nicotinamide Riboside THE PROCTER & GAMBLE COMPANY 2017-05-04 US disclosed
US-9586994-B2 CD44V6-derived peptides for treating breast cancer AMCURE GMBH (DE) 2017-03-07 US disclosed
US-20160024152-A1 CD44V6-Derived Peptides for Treating Breast Cancer AMCURE GMBH (DE) 2016-01-28 US disclosed
EP-2922562-A1 CD44V6-DERIVED PEPTIDES FOR TREATING BREAST CANCERS Karlsruher Institut für Technologie (DE) 2015-09-30 EP disclosed
WO-2014079931-A1 CD44V6-DERIVED PEPTIDES FOR TREATING BREAST CANCERS Karlsruher Institut für Technologie (DE) 2014-05-30 WO disclosed
US-20100162416-A1 Multi-stage stem cell carcinogenesis STEMLIFELINE, INC. (US) 2010-06-24 US disclosed
WO-2010037134-A2 MULTI-STAGE STEM CELL CARCINOGENESIS STEMLIFELINE, INC. (US) 2010-04-01 WO disclosed
EP-0748296-B1 METHOD FOR OXIDATIVELY DECOMPOSING ORGANIC COMPOUNDS IN AQUEOUS EFFLUENTS ELF AQUITAINE (FR) 1997-08-27 EP disclosed
EP-0748296-A1 METHOD FOR OXIDATIVELY DECOMPOSING ORGANIC COMPOUNDS IN AQUEOUS EFFLUENTS ELF AQUITAINE (FR) 1996-12-18 EP disclosed
WO-1995023118-A1 METHOD FOR OXIDATIVELY DECOMPOSING ORGANIC COMPOUNDS IN AQUEOUS EFFLUENTS ELF AQUITAINE (FR) 1995-08-31 WO disclosed
US-5429948-A Human cell line stably expressing 5cDNAS encoding procarcinogen-activating enzymes and related mutagenicity assays GENTEST CORPORATION (US) 1995-07-04 US disclosed