SCHEMBL844801

SCHEMBL844801

O=COCOC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 3/20 0.49
F2 P00734 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 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
SCHEMBL28875175 0.83 TDP1 (0.68) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL51601 0.83 TDP1 (0.68) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL5144048 0.83 TDP1 (0.63) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL14412963 0.83 ESR1 (0.56) TDP1MAPK1SLC6A2KMT2ALMNA
SCHEMBL7989068 0.81 L3MBTL1 (0.50) MAPK1KMT2ALMNAALDH1A1TSHR
SCHEMBL3955536 0.81 TDP1 (0.52) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL28389614 0.80 LMNA (0.51) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL3387337 0.80 TDP1 (0.50) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL3387335 0.80 TDP1 (0.50) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL1813905 0.80 LMNA (0.57) TDP1MAPK1KMT2ALMNAALDH1A1

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 182 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016204991-A1 IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-12-22 WO claimed
US-9394312-B1 Ibrutinib prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2016-07-19 US claimed
WO-2007054965-A2 PROCESS FOR PREPARATION OF TETRAZOLES FROM AROMATIC CYANO DERIVATIVES ALEMBIC LIMITED (IN) 2007-05-18 WO claimed
EP-0720982-B1 Benzimidazole derivatives, their production and use and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP claimed
EP-0603712-B1 Heterocyclic compounds having angiotensin II antagonistic activity and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-08-16 EP claimed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US claimed
US-6242600-B1 ANTIISCHEMIC AGENTS, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US claimed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP claimed
EP-0668272-B1 A process for the production of tetrazolyl compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-07-12 EP claimed
EP-0970071-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 2000-01-12 EP claimed
WO-1998039324-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-11 WO claimed
EP-0720982-A1 Benzimidazole derivatives, their production and use and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-10 EP claimed
US-5496835-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-05 US claimed
EP-0603712-A2 Heterocyclic compounds having angiotensin II antagonistic activity and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-06-29 EP claimed
US-4180571-A Arylmalonamido-1-oxadethiacephalosporins SHIONOGI & CO., LTD. (JP) 1979-12-25 US claimed
EP-1579872-B1 BODY WEIGHT GAIN INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2012-03-28 EP disclosed
EP-2277520-A2 A pharmaceutical composition for angiotensin ii-mediated diseases Takeda Pharmaceutical Company Limited (JP) 2011-01-26 EP disclosed
US-4115566-A 7α Ureido cephem-4-carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1978-09-19 US disclosed
US-3996208-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1976-12-07 US disclosed
US-3954802-A Substituted-ureido derivatives of penam 3-carboxylic acid and cephem 4-carboxylic acid CIBA-GEIGY CORPORATION (US) 1976-05-04 US disclosed