SCHEMBL6007690

SCHEMBL6007690

c1cc(CCOCCc2ccncc2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.54
LTA4H P09960 1/20 0.48
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
HIF1A Q16665 1/20 0.47
HRH1 P35367 2/20 0.46
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HRH4 Q9H3N8 2/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ABCB1 P08183 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
SCHEMBL9872271 0.89 LOXL2 (0.45) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL2149218 0.86 LOXL2 (0.46) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL2570882 0.85 HRH1 (0.60) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL22268002 0.84 CYP19A1 (0.53) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL15251621 0.82 LOXL2 (0.39) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL10635308 0.81 LOXL2 (0.42) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL8164850 0.80 LOXL2 (0.50) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL5402692 0.80 LOXL2 (0.50) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL5402687 0.80 LOXL2 (0.50) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL151822 0.80 LOXL2 (0.68) LOXL2CYP1A2CYP3A4CYP2D6CYP2C9

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
US-7126054-B2 Raw material kit for electrolytic composition, electrolytic composition, and dye-sensitized solar cell KABUSHIKI KAISHA TOSHIBA (JP) 2006-10-24 US disclosed