SCHEMBL5206912

SCHEMBL5206912

CCCCCCCCCCCCCCCC=Cc1[c]cccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 3/20 0.43
F3 P13726 3/20 0.43
MMP2 P08253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ECE1 P42892 1/20 0.43
SGMS1 Q86VZ5 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
MUS81 Q96NY9 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
BID P55957 3/20 0.40
BCL2L1 Q07817 3/20 0.40
MCL1 Q07820 3/20 0.40
BAK1 Q16611 3/20 0.40
EPHX2 P34913 2/20 0.39
SOAT2 O75908 1/20 0.37
SOAT1 P35610 1/20 0.37
TNNC1 P63316 1/20 0.36

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
SCHEMBL5206898 1.00 F7 (0.43) F7F3MMP2KDM4EMAPT
SCHEMBL5207595 0.82 L3MBTL1 (0.34) F7F3MMP2KDM4EMAPT
SCHEMBL5207607 0.82 L3MBTL1 (0.34) F7F3MMP2KDM4EMAPT
SCHEMBL5206903 0.79 F7 (0.46) F7F3MMP2KDM4EMAPT
SCHEMBL5207092 0.78 EGFR (0.36) KDM4ETNNC1
SCHEMBL5207099 0.78 EGFR (0.36) KDM4ETNNC1
SCHEMBL5206374 0.78 LTA4H (0.37) MAPTEPHX2
SCHEMBL5206380 0.78 LTA4H (0.37) MAPTEPHX2
SCHEMBL31545331 0.76 F7 (0.51) F7F3MMP2KDM4EMAPT
SCHEMBL28947595 0.76 F7 (0.51) F7F3MMP2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980867-B1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2007-08-08 EP disclosed