SCHEMBL644556

SCHEMBL644556

O=C(O)CN(CC(=O)O)C(c1ccccc1)C(c1ccccc1)N(CC(=O)O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
CYP2C19 P33261 3/20 0.42
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AOC3 Q16853 3/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL10820763 0.98 CYP2D6 (0.41) CYP2D6SRCCYP2C19GABBR2GABBR1
SCHEMBL10820764 0.89 SLC6A9 (0.36) CYP2D6SRCCYP2C19GABBR2GABBR1
SCHEMBL11077681 0.83 CYP2D6 (0.43) CYP2D6SRCCYP2C19GABBR2GABBR1
SCHEMBL11671946 0.83 SRC (0.43) CYP2D6SRCCYP2C19GABBR2GABBR1
SCHEMBL11218815 0.81 LMNA (0.45) CYP2D6SRCCYP2C19GABBR2GABBR1
SCHEMBL16656809 0.79 ALOX5 (0.52) CYP2D6
SCHEMBL16153014 0.79 OPRD1 (0.41) CYP2D6SRCCYP2C19GABBR2GABBR1
SCHEMBL847205 0.79 CYP2C19 (0.43) CYP2D6SRCCYP2C19GABBR2GABBR1
SCHEMBL516041 0.78 LMNA (0.42) CYP2D6SRCCYP2C19GABBR2GABBR1
Hydrochloric Acid SCHEMBL30098221 0.77 ALDH1A1 (0.54) L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0222886-B2 HEPATOBILIARY NMR CONTRAST AGENTS GEN HOSPITAL CORP (US) 2002-05-02 EP claimed
EP-0222886-B1 HEPATOBILIARY NMR CONTRAST AGENTS GEN HOSPITAL CORP (US) 1996-09-25 EP claimed
EP-0722739-A1 Hepatobiliary NMR contrast agents THE GENERAL HOSPITAL CORPORATION (US) 1996-07-24 EP claimed
US-4285575-A USING AN ELECTROCHROMIC ELECTROLYTE CONTAINING A CARBOXYLIC-CONTAINING COMPLEXING AGENT, A FERROUS SALT, A METAL SALT, AND A CHROMOGEN; DURABILITY CANON KABUSHIKI KAISHA (JP) 1981-08-25 US claimed
US-4212518-A ELECTROCHROMIC CELL CANON KABUSHIKI KAISHA (JP) 1980-07-15 US claimed
US-8119561-B2 Heat-sensitive transfer image-receiving sheet and production method thereof FUJIFILM CORPORATION (JP) 2012-02-21 US disclosed
US-8053389-B2 Heat-sensitive transfer image-receiving sheet FUJIFILM CORPORATION (JP) 2011-11-08 US disclosed
US-8012909-B2 Receiver sheet includes receptor layer containing yellow, cyan, magenta dyes; superimposing heat sensitive transfer sheet ; heating; process control FUJIFILM CORPORATION (JP) 2011-09-06 US disclosed
US-7981837-B2 Heat-sensitive transfer image-receiving sheet FUJIFILM CORPORATION (JP) 2011-07-19 US disclosed
US-7968495-B2 Heat-sensitive transfer image-receiving sheet and producing method thereof FUJIFILM CORPORATION (JP) 2011-06-28 US disclosed
US-7968496-B2 Heat-sensitive transfer image-receiving sheet, image forming method using heat-sensitive transfer system and method of producing heat-sensitive transfer image receiving sheet FUJIFILM CORPORATION (JP) 2011-06-28 US disclosed
US-7897001-B2 Heat-sensitive transfer image-receiving sheet, producing method thereof and image-forming method FUJIFILM CORPORATION (JP) 2011-03-01 US disclosed
US-4957939-A AMINOCARBOXYLIC ACIDS, MEDICAL IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 1990-09-18 US disclosed
EP-0369497-A1 Manganese (II) chelates SALUTAR, INC. (US) 1990-05-23 EP disclosed
WO-1990003975-A1 MANGANESE(II) CHELATES SALUTAR, INC. (US) 1990-04-19 WO disclosed
US-4889931-A TREATING MANGANESE OXIDE WITH CHELATING AGENTS SALUTAR, INC. (US) 1989-12-26 US disclosed
US-4863716-A PARAMAGNETIC MATERIAL FOR INJECTION SALUTAR, INC. (US) 1989-09-05 US disclosed
US-4647447-A COMPLEX SALT, NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1987-03-03 US disclosed
US-4285575-A USING AN ELECTROCHROMIC ELECTROLYTE CONTAINING A CARBOXYLIC-CONTAINING COMPLEXING AGENT, A FERROUS SALT, A METAL SALT, AND A CHROMOGEN; DURABILITY CANON KABUSHIKI KAISHA (JP) 1981-08-25 US disclosed
US-4212518-A ELECTROCHROMIC CELL CANON KABUSHIKI KAISHA (JP) 1980-07-15 US disclosed