SCHEMBL6161836

SCHEMBL6161836

CCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(Cl)c([NH])c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
ESR1 P03372 6/20 0.41
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
STS P08842 5/20 0.39

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
SCHEMBL8897841 0.86 ALDH1A1 (0.57) ALDH1A1NPC1MAPTRAB9AESR1
SCHEMBL2450252 0.86 ALDH1A1 (0.57) ALDH1A1NPC1MAPTRAB9AESR1
SCHEMBL6161842 0.86 ALDH1A1 (0.49) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL11481988 0.85 ALDH1A1 (0.41) ALDH1A1NPC1MAPTRAB9AESR1
SCHEMBL11481987 0.83 ALDH1A1 (0.41) ALDH1A1NPC1MAPTRAB9AESR1
SCHEMBL9459003 0.83 ALDH1A1 (0.49) ALDH1A1NPC1MAPTRAB9AESR1
SCHEMBL11035872 0.82 ALDH1A1 (0.54) ALDH1A1NPC1MAPTRAB9AESR1
SCHEMBL8930406 0.81 MAPT (0.43) ALDH1A1NPC1MAPTRAB9AESR1
SCHEMBL8930408 0.81 MAPT (0.43) ALDH1A1NPC1MAPTRAB9AESR1
SCHEMBL13607645 0.78 ALDH1A1 (0.72) ALDH1A1NPC1MAPTRAB9AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711758-B1 Method of manufacturing a 3-substituted-3-oxo-2-halopropionic acid amide compound and method of manufacturing a 3-substituted-3-oxo-2-(5,5-dimethylhydantoin-3-yl) propionic acid amide compound FUJI PHOTO FILM CO LTD (JP) 2005-01-26 EP disclosed
EP-1020450-A1 Method of manufacturing a 3-substituted-3-oxo-2-halopropionic acid amide compound and method of manufacturing a 3-substituted-3-oxo-2-(5,5-dimethylhydantoin-3-yl) propionic acid amide compound FUJI PHOTO FILM CO., LTD. (JP) 2000-07-19 EP disclosed
US-5672714-A HALOGENATION WITH 1,3-DIHALO-5,5-DIMETHYLHYDANTOIN FOLLOWED BY REACTION WITH 5,5-DIMETHYLHYDANTOIN AT THE HALOGENATION SITE TO FORM PHOTOGRAPHIC YELLOW COUPLER COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1997-09-30 US disclosed
EP-0711758-A2 Method of manufacturing a 3-substituted-3-oxo-2-halopropionic acid amide compound and method of manufacturing a 3-substituted-3-oxo-2-(5,5-dimethylhydantoin-3-yl) propionic acid amide compound FUJI PHOTO FILM CO., LTD. (JP) 1996-05-15 EP disclosed