SCHEMBL10367487

SCHEMBL10367487

O=C(O)CCc1ccc(OCC2CO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
FFAR1 O14842 10/20 0.55
FFAR4 Q5NUL3 3/20 0.55
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
KMT2A Q03164 1/20 0.49
PPARG P37231 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL15435893 1.00 TDP1 (0.56) TDP1FFAR1FFAR4LMNAL3MBTL1
SCHEMBL28669960 0.91 MGLL (0.55) TDP1FFAR1FFAR4LMNAALDH1A1
SCHEMBL17063071 0.86 TDP1 (0.50) TDP1FFAR1FFAR4LMNAALDH1A1
SCHEMBL32685172 0.85 MGLL (0.52) TDP1FFAR1LMNAL3MBTL1ALDH1A1
SCHEMBL9628741 0.84 TDP1 (0.59) TDP1LMNAALDH1A1GAAPKM
SCHEMBL2733663 0.84 TDP1 (0.59) TDP1LMNAALDH1A1GAAPKM
SCHEMBL9628757 0.84 TDP1 (0.59) TDP1LMNAALDH1A1GAAPKM
SCHEMBL1041018 0.84 PKM (0.50) TDP1LMNAALDH1A1GAAPKM
SCHEMBL8437625 0.84 PKM (0.50) TDP1LMNAALDH1A1GAAPKM
SCHEMBL13654852 0.84 PKM (0.50) TDP1LMNAALDH1A1GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651706-A Preparation process of high-purity esmolol hydrochloride 湖州展望药业有限公司 2021-11-16 CN disclosed
US-4906661-A Esters of aryloxypropanolamine derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-06 US disclosed
EP-0248879-A4 SYNTHESIS OF ARYLOXYPROPANOLAMINES AND ARYLETHANOLAMINES. DU PONT (US) 1990-02-26 EP disclosed
US-4804677-A CARDIOTONIC AGENTS; GLAUCOMA; SIDE-EFFECT REDUCTION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-14 US disclosed
EP-0248879-A1 SYNTHESIS OF ARYLOXYPROPANOLAMINES AND ARYLETHANOLAMINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-12-16 EP disclosed
US-4692446-A ADRENERGIC BLOCKING AGENTS E. I. DU PONT DE NEMOURS & CO., INC. (US) 1987-09-08 US disclosed
WO-1987003583-A1 SYNTHESIS OF ARYLOXYPROPANOLAMINES AND ARYLETHANOLAMINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-06-18 WO disclosed
US-4623652-A ADRENERGIC BLOCKING AGENTS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1986-11-18 US disclosed
EP-0053434-B1 COMPOUNDS AND METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1986-08-27 EP disclosed
EP-0065963-B1 COMPOUNDS AND METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1986-01-29 EP disclosed
US-4450173-A BRIEF ACTING B-ADRENERGIC BLOCKING AGENTS; BIOLOGICAL INJECTIONS; ANTIARRYHYTHMIA AGENTS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1984-05-22 US disclosed
EP-0093155-A4 ESTERS OF ARYLOXYPROPANOLAMINE DERIVATIVES AND USE AS BETA-ADRENERGIC BLOCKING AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1984-04-24 EP disclosed
EP-0093155-A1 ESTERS OF ARYLOXYPROPANOLAMINE DERIVATIVES AND USE AS BETA-ADRENERGIC BLOCKING AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1983-11-09 EP disclosed
WO-1983001772-A1 ESTERS OF ARYLOXYPROPANOLAMINE DERIVATIVES AND USE AS 'beta'-ADRENERGIC BLOCKING AGENTS AMERICAN HOSPITAL SUPPLY CORP (US) 1983-05-26 WO disclosed
EP-0065963-A4 COMPOUNDS AND METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS. AMERICAN HOSPITAL SUPPLY CORP (US) 1983-04-25 EP disclosed
EP-0065963-A1 COMPOUNDS AND METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS. AMERICAN HOSPITAL SUPPLY CORP (US) 1982-12-08 EP disclosed
WO-1982001870-A1 COMPOUNDS AND METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS AMERICAN HOSPITAL SUPPLY CORP (US) 1982-06-10 WO disclosed
EP-0053434-A1 Compounds and method for treatment or prophylaxis of cardiac disorders AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1982-06-09 EP disclosed