SCHEMBL7295237

SCHEMBL7295237

O=C(OCCCCCCO)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.81
LMNA P02545 3/20 0.59
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL11896278 1.00 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL10790013 1.00 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL11896258 1.00 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL913237 1.00 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL14723101 1.00 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL9712789 1.00 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL6821603 1.00 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL27972999 0.98 TDP1 (0.79) TDP1LMNAALDH1A1MAPK1HIF1A
Potassium SCHEMBL29767441 0.98 TDP1 (0.79) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL49966 0.98 TDP1 (0.85) TDP1LMNAALDH1A1MAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8715896-B2 Polyalkylene glycol benzoate containing photoconductors XEROX CORPORATION (US) 2014-05-06 US claimed
CN-119842650-A Acyltransferase for synthesizing polyester intermediate and application thereof 中国科学院天津工业生物技术研究所 2025-04-18 CN disclosed
CN-113166649-B Mesogenic compounds 光学转变有限公司 2024-05-28 CN disclosed
CN-117185883-A Method for preparing carboxylic ester by iron-catalyzed alcohol oxidation esterification 复旦大学 2023-12-08 CN disclosed
CN-113166649-A Mesogenic compounds 光学转变有限公司 2021-07-23 CN disclosed
US-8715896-B2 Polyalkylene glycol benzoate containing photoconductors XEROX CORPORATION (US) 2014-05-06 US disclosed
US-8268520-B2 Polyalkylene glycol benzoate polytetrafluoroethylene containing photoconductors XEROX CORPORATION (US) 2012-09-18 US disclosed
US-20120196217-A1 POLYALKYLENE GLYCOL BENZOATE CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2012-08-02 US disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0169033-B1 INHIBITORS OF SLOW REACTING SUBSTANCE OF ANAPHYLAXIS SCHERING CORPORATION (US) 1992-02-12 EP disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
EP-0169033-A2 Inhibitors of slow reacting substance of anaphylaxis SCHERING CORPORATION (US) 1986-01-22 EP disclosed
EP-0141873-A1 Substituted diphenyl ether herbicides and process for use GAF CORPORATION (US) 1985-05-22 EP disclosed
US-4496447-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS AND FOR CURING PRINTING INKS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1985-01-29 US disclosed
US-4374984-A Aromatic-aliphatic ketones useful as photoinitiators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-02-22 US disclosed