SCHEMBL845361

SCHEMBL845361

O=COCOC(=O)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
TSHR P16473 1/20 0.35
MDM2 Q00987 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 1/20 0.33
MIF P14174 1/20 0.33

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
SCHEMBL845299 0.98 ALDH1A1 (0.42) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL18812444 0.83 PDE4D (0.32)
SCHEMBL7366538 0.81 ALDH1A1 (0.41) ALDH1A1ADRB2ADRB1ADRB3CES2
SCHEMBL10099631 0.81 ALDH1A1 (0.50) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL1816298 0.80 MAPT (0.41) ALDH1A1KMT2ASMN1; SMN2HTTMAPT
SCHEMBL28064967 0.79 MAPT (0.43) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL16573650 0.77 ALDH1A1 (0.47) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL28140466 0.76 ALDH1A1 (0.46) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL7935177 0.76 ALDH1A1 (0.44) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL14351305 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0668272-B1 A process for the production of tetrazolyl compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-07-12 EP 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
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
EP-2253327-A1 Pharmaceutical composition containing a compound having angiotensin II antagonistic activity in combination with another compound Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
EP-1153613-B1 PERCUTANEOUS ABSORPTION PREPARATIONS OF COMPOUND HAVING ANGIOTENSIN II RECEPTOR ANTAGONISM TAKEDA PHARMACEUTICAL (JP) 2010-11-10 EP disclosed
US-7812044-B2 Anticancer agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-12 US disclosed
EP-1371646-B1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2010-05-19 EP disclosed
US-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed
EP-0546358-A2 Pharmaceutical compositions with angiotensin-II-antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-16 EP disclosed
EP-0529858-A1 2-Piperazinone compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-03-03 EP disclosed
EP-0520423-A2 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-30 EP disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed
EP-0483683-A2 Thienoimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-06 EP disclosed
EP-0459136-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-12-04 EP disclosed