SCHEMBL5542458

SCHEMBL5542458

COC(=O)C(C)c1ccsc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
MT-CO2 P00403 1/20 0.41
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL5179018 0.83 ALDH1A1 (0.45) HPGDALOX5PTGS1CHRNB2CHRNB4
SCHEMBL5509552 0.82 ALOX5 (0.49) HPGDALOX5CHRNB2CHRNB4CHRNA3
SCHEMBL6384665 0.82 ALOX5 (0.45) HPGDALOX5CHRNB2CHRNB4CHRNA3
SCHEMBL27433916 0.82 ALOX5 (0.45) HPGDALOX5PTGS1PTGS2CHRNB2
SCHEMBL5079391 0.82 GRIA4 (0.49) HPGDPTGS2MT-CO2KDM4E
SCHEMBL9328003 0.81 ALOX5 (0.47) HPGDALOX5CHRNB2CHRNB4CHRNA3
SCHEMBL8716724 0.80 ALOX5 (0.53) ALOX5PTGS1PTGS2CHRNB2CHRNB4
SCHEMBL8167057 0.80 ALOX5 (0.46) HPGDALOX5CHRNB2CHRNB4CHRNA3
SCHEMBL5129994 0.80 ALOX5 (0.42) HPGDALOX5CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL8167055 0.79 ALOX5 (0.45) HPGDALOX5CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 EP disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-5776964-A HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed
US-5521206-A HYPOTENSIVE AGENTS, TREATMENT OF ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1996-05-28 US disclosed
US-5296454-A Acetanilide herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-22 US disclosed
EP-0521365-A1 Acetanilides NIHON BAYER AGROCHEM K.K. (JP) 1993-01-07 EP disclosed