SCHEMBL837847

SCHEMBL837847

CCCCC(CC)COCCOCCS(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.53
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP14 P50281 1/20 0.48
RECQL P46063 1/20 0.47
TSHR P16473 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 7/20 0.42
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
CA2 P00918 3/20 0.39
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL12752250 1.00 CYP3A4 (0.53) CYP3A4MMP9MMP8MMP14RECQL
SCHEMBL837482 0.92 CYP3A4 (0.55) CYP3A4MMP9MMP8MMP14RECQL
SCHEMBL15682603 0.91 CYP3A4 (0.54) CYP3A4MMP9MMP8MMP14RECQL
SCHEMBL859819 0.91 CYP3A4 (0.54) CYP3A4MMP9MMP8MMP14RECQL
SCHEMBL1735463 0.91 CYP3A4 (0.54) CYP3A4MMP9MMP8MMP14RECQL
SCHEMBL837259 0.91 CYP3A4 (0.54) CYP3A4MMP9MMP8MMP14RECQL
SCHEMBL15682602 0.91 CYP3A4 (0.54) CYP3A4MMP9MMP8MMP14RECQL
SCHEMBL125726 0.90 CYP3A4 (0.53) CYP3A4MMP9MMP8MMP14RECQL
SCHEMBL125798 0.90 CYP3A4 (0.53) CYP3A4MMP9MMP8MMP14RECQL
SCHEMBL13951845 0.88 CYP3A4 (0.53) CYP3A4MMP9MMP8MMP14RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8142982-B2 Lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2012-03-27 US disclosed
US-20090111049-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-04-30 US disclosed