SCHEMBL6848210

SCHEMBL6848210

CCCCCCCCCCCCc1ccc(S(=O)(=O)[O-])cc1.CCOc1cc(OCC)c([N+]#N)c(OCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42
HIF1A Q16665 1/20 0.42
FUT7 Q11130 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
AKT1 P31749 6/20 0.37
IRS1 P35568 2/20 0.37
GAB1 Q13480 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 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
SCHEMBL7513550 0.80 S1PR3 (0.40) CA2LMNAHTTCYP2D6CYP2C9
SCHEMBL11712823 0.75 CA2 (0.66) CA2LMNAHTTCYP2D6CYP2C9
SCHEMBL11450888 0.75 CA2 (0.66) CA2LMNAHTTCYP2D6CYP2C9
Lithium Ion SCHEMBL11715222 0.75 CA2 (0.66) CA2LMNAHTTCYP2D6CYP2C9
Potassium Ion SCHEMBL282773 0.75 CA2 (0.66) CA2LMNAHTTCYP2D6CYP2C9
SCHEMBL446403 0.75 CA2 (0.66) CA2LMNAHTTCYP2D6CYP2C9
SCHEMBL149982 0.75 CA2 (0.66) CA2LMNAHTTCYP2D6CYP2C9
SCHEMBL11059907 0.75 CA2 (0.66) CA2LMNAHTTCYP2D6CYP2C9
Lithium Ion SCHEMBL11080696 0.75 CA2 (0.66) CA2LMNAHTTCYP2D6CYP2C9
SCHEMBL3853262 0.75 CA2 (0.66) CA2LMNAHTTCYP2D6CYP2C9

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-6699638-B2 ON A THERMAL CROSSLINKING LAYER A WATER SOLUBLE OVERCOAT LAYER, AND AT LEAST ONE OF THESE LAYERS CONTAINS A COMPOUND CAPABLE OF CONVERTING LIGHT INTO HEAT; EASY TO HANDLE AND CAUSES NO DEFECTS EVEN WHEN TOUCHED WITH FINGERS FUJI PHOTO FILM CO., LTD. (JP) 2004-03-02 US disclosed
US-20010031423-A1 On a thermal crosslinking layer a water soluble overcoat layer, and at least one of these layers contains a compound capable of converting light into heat; easy to handle and causes no defects even when touched with fingers FUJIFILM CORPORATION (JP) 2001-10-18 US disclosed