SCHEMBL4390526

SCHEMBL4390526

CCOC(COc1ccc2ccc(=O)oc2c1)OCC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 11/20 0.71
CA9 Q16790 11/20 0.71
CA1 P00915 9/20 0.71
CA6 P23280 5/20 0.71
CA7 P43166 5/20 0.71
CA14 Q9ULX7 5/20 0.71
CA4 P22748 5/20 0.71
CA5B Q9Y2D0 3/20 0.71
CA5A P35218 3/20 0.71
CYP1A2 P05177 1/20 0.71
CA2 P00918 3/20 0.63
CA3 P07451 3/20 0.63
MTNR1A P48039 3/20 0.58
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TP53 P04637 1/20 0.56
AKR1B1 P15121 1/20 0.55
NPC1 O15118 2/20 0.54

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
SCHEMBL14065428 0.86 CA12 (0.66) CA12CA9CA1CA6CA7
Ethoxycoumarin SCHEMBL119072 0.84 CA9 (1.00) CA12CA9CA1CA6CA7
SCHEMBL14329511 0.82 CA12 (0.68) CA12CA9CA1CA6CA7
SCHEMBL19194193 0.81 CA12 (0.67) CA12CA9CA1CA6CA7
SCHEMBL6799977 0.80 IGLV6-57 (0.51) CA12CA9CA1CA6CA7
SCHEMBL19194169 0.78 CA12 (0.64) CA12CA9CA1CA6CA7
SCHEMBL19194269 0.78 CA12 (0.77) CA12CA9CA1CA6CA7
7-Propoxycoumarin SCHEMBL6690398 0.78 CA9 (1.00) CA12CA9CA1CA6CA7
7-Butoxycoumarin SCHEMBL6686295 0.78 CA12 (1.00) CA12CA9CA1CA6CA7
SCHEMBL2984644 0.78 CA12 (0.71) CA12CA9CA1CA6CA7

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-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed