SCHEMBL7100079

SCHEMBL7100079

CN(CCN=Cc1ccccc1O)Cc1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.58
CA2 P00918 7/20 0.58
KDM4E B2RXH2 3/20 0.58
CA9 Q16790 6/20 0.55
CA1 P00915 1/20 0.42
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.39
HIF1A Q16665 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
GAA P10253 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
THRB P10828 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
SCHEMBL14866128 1.00 CA12 (0.58) CA12CA2KDM4ECA9CA1
SCHEMBL16660366 0.86 CA12 (0.68) CA12CA2KDM4ECA9CA1
SCHEMBL8356137 0.84 CA2 (0.47) CA12CA2KDM4ECA9CA1
SCHEMBL16247110 0.82 CA12 (0.70) CA12CA2KDM4ECA9CA1
SCHEMBL16247111 0.82 CA12 (0.70) CA12CA2KDM4ECA9CA1
SCHEMBL16246991 0.80 CA12 (0.68) CA12CA2KDM4ECA9CA1
SCHEMBL8352502 0.80 HIF1A (0.53) CA12CA2KDM4ECA9CYP1A2
SCHEMBL5695300 0.79 CA12 (0.72) CA12CA2KDM4ECA9CA1
SCHEMBL29609543 0.78 CA12 (0.75) CA12CA2KDM4ECA9CA1
SCHEMBL16221717 0.78 CA12 (0.75) CA12CA2KDM4ECA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877078-B1 Bleach activating metal complex CLARIANT GMBH (DE) 2003-09-17 EP disclosed
US-5998645-A LAUNDERING DETERGENTS; CLEANING COMPOUNDS CLARIANT GMBH (DE) 1999-12-07 US disclosed
EP-0877078-A2 Bleach activating metal complex Clariant GmbH (DE) 1998-11-11 EP disclosed