SCHEMBL4640489

SCHEMBL4640489

C=C(C)COC(C)COC(=O)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
ESR1 P03372 3/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
ESR2 Q92731 2/20 0.49
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 3/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
KDR P35968 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 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
SCHEMBL4579636 0.83 ADRB2 (0.51) ADRB2ADRB1ADRB3ESR1CA12
SCHEMBL9723879 0.82 ESR1 (0.64) ADRB2ADRB1ADRB3ESR1CA12
SCHEMBL17231742 0.81 MAPK1 (0.62) ESR1CA12CA1CA2CA7
SCHEMBL34633 0.80 ADRB2 (0.64) ADRB2ADRB1ADRB3ESR1CA12
SCHEMBL9471988 0.79 ESR1 (0.66) ADRB2ADRB1ADRB3ESR1CA12
SCHEMBL1580003 0.79 CA12 (0.62) ADRB2ADRB1ADRB3ESR1CA12
SCHEMBL30830422 0.78 ADRB2 (0.62) ADRB2ADRB1ADRB3ESR1CA12
SCHEMBL156746 0.78 ADRB2 (0.62) ADRB2ADRB1ADRB3ESR1CA12
SCHEMBL9151335 0.76 ESR1 (0.61) ADRB2ADRB1ADRB3ESR1CA12
SCHEMBL17912404 0.75 ADRB2 (0.59) ADRB2ADRB1ADRB3ESR1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1298490-B1 Photopolymerizable composition and recording material FUJIFILM CORP (JP) 2008-08-13 EP disclosed
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-6756177-B2 MULTICOLOR RECORDING FUJI PHOTO FILM CO., LTD. (JP) 2004-06-29 US disclosed
US-6713523-B2 DECOLORING DYES FUJI PHOTO FILM CO., LTD. (JP) 2004-03-30 US disclosed
US-20030224294-A1 Photopolymerizable composition and recording material using same FUJIFILM CORPORATION (JP) 2003-12-04 US disclosed
US-20030129521-A1 Photopolymerizable composition and recording material FUJI PHOTO FILM CO., LTD. 2003-07-10 US disclosed
EP-1298490-A2 Photopolymerizable composition and recording material Fuji Photo Film Co., Ltd. (JP) 2003-04-02 EP 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