SCHEMBL845298

SCHEMBL845298

O=[C]OCOC(=O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.34
MDM2 Q00987 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL845360 0.98 ALDH1A1 (0.40) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL10099631 0.83 ALDH1A1 (0.50) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL5515831 0.81 GABRP (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL16573650 0.79 ALDH1A1 (0.47) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL1816297 0.79 MAPT (0.41) ALDH1A1MEN1KMT2AMAPT
SCHEMBL23780852 0.78 ADRB2 (0.52) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL7697151 0.76 ALDH1A1 (0.49) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL11374216 0.76 ALDH1A1 (0.49) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL27831635 0.76 ALDH1A1 (0.45) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL24621845 0.75 ALDH1A1 (0.47) ALDH1A1CES2CES1ADRB2ADRB1

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 187 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-6242600-B1 ANTIISCHEMIC AGENTS, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US 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
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
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
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 EP disclosed