SCHEMBL6990016

SCHEMBL6990016

C=Cc1ccc(OC(=O)C(CC)CCCC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.47
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PSMB5 P28074 1/20 0.43
TRPA1 O75762 1/20 0.43
FGFR1 P11362 3/20 0.42
VCP P55072 1/20 0.42
TSHR P16473 1/20 0.42
JUN P05412 1/20 0.40
NFKB1 P19838 1/20 0.40
LTA4H P09960 1/20 0.39
APP P05067 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NFE2L2 Q16236 1/20 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
SCHEMBL31518913 0.94 GAA (0.47) TOP2AGAAXBP1ATMNPSR1
SCHEMBL22241537 0.81 L3MBTL1 (0.52) TOP2AGAAXBP1ATMNPSR1
SCHEMBL6990012 0.78 TOP2A (0.57) TOP2ATRPA1FGFR1VCPJUN
SCHEMBL17138171 0.78 GAA (0.49) TOP2AGAAXBP1ATMNPSR1
SCHEMBL31518879 0.77 ALOX15 (0.42) TOP2AGAACA1PSMB5TRPA1
SCHEMBL17938465 0.76 CA2 (0.56) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL9415700 0.76 ALDH1A1 (0.50) TOP2ANPSR1PSMB5TRPA1FGFR1
SCHEMBL24589178 0.75 ALDH1A1 (0.57) TOP2AGAAPSMB5TRPA1FGFR1
SCHEMBL14706513 0.74 FGFR1 (0.47) TOP2ATRPA1FGFR1VCPJUN
SCHEMBL23591625 0.74 CA2 (0.53) GAAXBP1ATMNPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377617-B2 Toner for developing electrostatic image and manufacturing method of toner for developing electrostatic image KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2013-02-19 US disclosed
US-20120123075-A1 TONER FOR DEVELOPING ELECTROSTATIC IMAGE AND MANUFACTURING METHOD OF TONER FOR DEVELOPING ELECTROSTATIC IMAGE KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-05-17 US disclosed
US-20120123075-A1 TONER FOR DEVELOPING ELECTROSTATIC IMAGE AND MANUFACTURING METHOD OF TONER FOR DEVELOPING ELECTROSTATIC IMAGE KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-05-17 US disclosed