SCHEMBL4582238

SCHEMBL4582238

CC(CN=Cc1ccccc1O)N=Cc1ccccc1O.Oc1ccccc1C=NCCCN=Cc1ccccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.69
CA2 P00918 7/20 0.69
CA9 Q16790 6/20 0.69
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.54
MAPT P10636 4/20 0.54
KMT2A Q03164 2/20 0.54
CA1 P00915 1/20 0.42
ALOX15 P16050 3/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
USP2 O75604 1/20 0.40
ALOX12 P18054 1/20 0.40
RECQL P46063 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
THRB P10828 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL4582240 1.00 CA12 (0.69) CA12CA2CA9KDM4EALDH1A1
SCHEMBL145541 0.93 KDM4E (0.61) CA12CA2CA9KDM4EALDH1A1
SCHEMBL711079 0.93 KDM4E (0.61) CA12CA2CA9KDM4EALDH1A1
SCHEMBL9437414 0.93 KDM4E (0.61) CA12CA2CA9KDM4EALDH1A1
SCHEMBL29365933 0.93 KDM4E (0.61) CA12CA2CA9KDM4EALDH1A1
SCHEMBL1270639 0.93 KDM4E (0.61) CA12CA2CA9KDM4EALDH1A1
SCHEMBL11666565 0.84 KDM4E (0.53) CA12CA2CA9KDM4EALDH1A1
SCHEMBL11666564 0.84 KDM4E (0.53) CA12CA2CA9KDM4EALDH1A1
SCHEMBL710368 0.83 CA12 (1.00) CA12CA2CA9KDM4EALDH1A1
SCHEMBL13786954 0.83 CA12 (1.00) CA12CA2CA9KDM4EALDH1A1

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-20080032913-A1 Masking of mineral oil odor and fragrancing of mineral oils SYMRISE GMBH & CO. KG (DE) 2008-02-07 US disclosed
EP-1884555-A2 Masking mineral oil smell and scenting of mineral oils Symrise GmbH & Co. KG (DE) 2008-02-06 EP disclosed