SCHEMBL6389147

SCHEMBL6389147

C=C(C)C(=O)OCCOC(=O)/C=C/c1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.65
CA7 P43166 8/20 0.65
CA9 Q16790 8/20 0.65
CA14 Q9ULX7 8/20 0.65
MET P08581 7/20 0.65
CA1 P00915 6/20 0.65
CA4 P22748 5/20 0.65
CA6 P23280 5/20 0.65
CA5A P35218 5/20 0.65
CA5B Q9Y2D0 5/20 0.65
CA2 P00918 3/20 0.61
AKR1B10 O60218 5/20 0.60
AKR1B1 P15121 5/20 0.60
MAOB P27338 1/20 0.60
TYR P14679 1/20 0.54
HTR7 P34969 1/20 0.51
APP P05067 1/20 0.48
ESR1 P03372 2/20 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
SCHEMBL4578918 1.00 CA12 (0.65) CA12CA7CA9CA14MET
SCHEMBL8381969 0.94 AKR1B10 (0.59) CA12CA7CA9CA14MET
SCHEMBL8157308 0.89 CA1 (0.50) CA12CA7CA9CA14MET
SCHEMBL8153426 0.87 CA12 (0.49) CA12CA7CA9CA14MET
SCHEMBL18373570 0.87 MET (0.52) CA12CA7CA9CA14MET
SCHEMBL8157078 0.87 POLB (0.56) CA12CA7CA9CA14MET
SCHEMBL554600 0.87 AKR1B10 (0.64) CA12CA7CA9CA14CA4
SCHEMBL3085092 0.87 AKR1B10 (0.64) CA12CA7CA9CA14CA4
SCHEMBL8157084 0.86 TDP1 (0.64)
SCHEMBL8144638 0.86 MET (0.55) CA12CA7CA9CA14MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846605-B2 Photopolymerizable composition and recording material using same FUJI PHOTO FILM CO., LTD. (JP) 2005-01-25 US disclosed
US-6824953-B2 POLYMERIZABLE COMPOUND HAVING AN ETHYLENIC UNSATURATED BOND, A METHINE DYE, AND A RADICAL GENERATOR THAT INTERACTS WITH THE DYE TO GENERATE A RADICAL FUJI PHOTO FILM CO., LTD. (JP) 2004-11-30 US disclosed
US-6713523-B2 DECOLORING DYES FUJI PHOTO FILM CO., LTD. (JP) 2004-03-30 US disclosed
US-20020182530-A1 Polymerizable compound having an ethylenic unsaturated bond, a methine dye, and a radical generator that interacts with the dye to generate a radical FUJI PHOTO FILM CO., LTD. 2002-12-05 US disclosed
US-20020168494-A1 Photopolymerizable composition and photosensitive thermal recording material FUJI PHOTO FILM CO., LTD. 2002-11-14 US disclosed