SCHEMBL844442

SCHEMBL844442

CCCC(=O)OCO[C]=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
DGKA P23743 1/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PAM P19021 2/20 0.35
FFAR3 O14843 3/20 0.35
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
CYP1A2 P05177 1/20 0.34
TSHR P16473 3/20 0.33
MAPT P10636 1/20 0.33
NLRP3 Q96P20 1/20 0.33
DNM1 Q05193 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL3110358 0.87 DGKA (0.50) ALDH1A1DGKACES2CES1PAM
SCHEMBL3115656 0.85 DGKA (0.59) ALDH1A1DGKACES2CES1PAM
SCHEMBL7368456 0.84 DGKA (0.62) ALDH1A1DGKAPAMTSHRMAPT
SCHEMBL845080 0.81
SCHEMBL2618716 0.80 ALDH1A1 (0.63) ALDH1A1DGKACES2CES1PAM
Bis(Butyryloxymethyl) Succinate SCHEMBL18747588 0.78 ALDH1A1 (0.60) ALDH1A1DGKACES2CES1PAM
SCHEMBL1816678 0.77 LMNA (0.41) ALDH1A1PAMTSHRMAPTLMNA
SCHEMBL9808547 0.76 CAMK2A (0.37) DGKAPAMCYP1A2TSHRLMNA
SCHEMBL1178117 0.76 ALDH1A1 (0.46) ALDH1A1DGKACES2CES1PAM
SCHEMBL22288371 0.75

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 199 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
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
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
EP-2116538-B1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-27 EP disclosed
US-8367695-B2 Condensed tetrahydroquinoline derivative and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-05 US disclosed
EP-0459136-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-12-04 EP disclosed
EP-0395446-A2 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists Sankyo Company Limited (JP) 1990-10-31 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
US-4377591-A CARBAPENICILLIN ANTIBIOTICS SANKYO COMPANY, LIMITED (JP) 1983-03-22 US disclosed