SCHEMBL459655

SCHEMBL459655

CC(=O)Oc1ccccc1S

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.57
KDM4E B2RXH2 3/20 0.57
HSD17B10 Q99714 3/20 0.57
HPGD P15428 2/20 0.57
ALDH1A1 P00352 1/20 0.57
ESR1 P03372 1/20 0.57
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
HMGB1 P09429 1/20 0.57
TSHR P16473 1/20 0.57
GGT1 P19440 1/20 0.57
PTGS1 P23219 1/20 0.57
BLM P54132 1/20 0.57
NAPRT Q6XQN6 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.47
ACHE P22303 1/20 0.46

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
Ethylene Glycol SCHEMBL5342866 0.92 PTGS2 (0.50) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL29432883 0.84 PTGS2 (0.68) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL338196 0.84 PTGS2 (0.68) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL6863150 0.82 ELANE (0.49) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL8320198 0.82 ACHE (0.59) PTGS2KDM4EHSD17B10HPGDALDH1A1
Iodide SCHEMBL30619798 0.81 PTGS2 (0.65) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL8764165 0.80 MAPT (0.46) PTGS2KDM4EHSD17B10HPGDALDH1A1
Ethylene SCHEMBL28225928 0.79 PTGS2 (0.63) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL11239025 0.79 ELANE (0.47) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL3740251 0.79 ELANE (0.47) KDM4EHSD17B10HPGDALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874464-A Polymerizable single-component photoinitiator and preparation method thereof 江苏集萃光敏电子材料研究所有限公司 2023-10-13 CN claimed
CN-110229333-A A kind of synthetic method of new type polyimide 湘潭大学 2019-09-13 CN claimed
US-20100280113-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS TRUSTEES OF BOSTON UNIVERSITY (US) 2010-11-04 US claimed
US-20080027136-A1 Compositions and methods for the treatment of cystic fibrosis UNIVERSITY OF WASHINGTON 2008-01-31 US claimed
US-20030018069-A1 Compositions and methods for the treatment of cystic fibrosis UNIVERSITY OF WASHINGTON 2003-01-23 US claimed
US-20010034367-A1 Compositions and methods for the treatment of cystic fibrosis UNIVERSITY OF WASHINGTON 2001-10-25 US claimed
WO-1999040883-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FALLER DOUGLAS V (US) 1999-08-19 WO claimed
US-4826888-A STORAGE STABLE, DISCOLORATION INHIBITION MITSUBISHI RAYON CO., LTD. (JP) 1989-05-02 US claimed
US-20230346788-A1 METHODS FOR TREATING VIRAL DISORDERS TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-02 US disclosed
CN-116874464-A Polymerizable single-component photoinitiator and preparation method thereof 江苏集萃光敏电子材料研究所有限公司 2023-10-13 CN disclosed
US-11701363-B2 Methods for treating viral disorders TRUSTEES OF BOSTON UNIVERSITY (US) 2023-07-18 US disclosed
US-20200016161-A1 METHODS FOR TREATING VIRAL DISORDERS TRUSTEES OF BOSTON UNIVERSITY (US) 2020-01-16 US disclosed
EP-3077372-B1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING BV (NL) 2019-02-06 EP disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-5939456-A METHOD OF STIMULATING THE EXPRESSION OF A GLOBIN PROTEIN, OR THE PROLIFERATION OR DEVELOPMENT OF ERYTHROID CELLS, MYELOID CELLS OR MEGAKARYOCYTIC CELLS FOR TREATING A DISORDER SELECTED FROM THE GROUP CONSISTING OF CYTOPENIA, AN ANEMIA AND NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1999-08-17 US disclosed
EP-0861072-A2 COMPOSITIONS FOR THE TREATMENT OF BLOOD DISORDERS TRUSTEES OF BOSTON UNIVERSITY (US) 1998-09-02 EP disclosed
WO-1998004290-A2 COMPOSITIONS COMPRISING AN INDUCING AGENT AND AN ANTI-VIRAL AGENT FOR THE TREATMENT OF BLOOD, VIRAL AND CELLULAR DISORDERS PERRINE SUSAN P (US) 1998-02-05 WO disclosed
WO-1996027369-A9 COMPOSITIONS FOR THE TREATMENT OF BLOOD DISORDERS 1996-12-27 WO disclosed
WO-1996027369-A2 COMPOSITIONS FOR THE TREATMENT OF BLOOD DISORDERS THE TRUSTEES OF BOSTON UNIVERSITY (US) 1996-09-12 WO disclosed
US-4604436-A REACTING A PHENOLIC RESIN, METAL OXIDE, AMMONIA BASE AND ALKANOIC OR AROMATIC ACID OCCIDENTAL CHEMICAL CORPORATION (US) 1986-08-05 US disclosed