SCHEMBL4383570

SCHEMBL4383570

CCOC(=O)c1c(C)c(Br)c(O)c(Br)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
MAPT P10636 6/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 2/20 0.43
FHIT P49789 1/20 0.43
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL4125691 0.81 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL19666785 0.80 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL19666780 0.77 MAPT (0.40) CA12CA1CA2CA7CA9
SCHEMBL8402794 0.76 ALDH1A1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL8400705 0.76 ALDH1A1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL11563077 0.76 MAPT (0.52) CA12CA1CA2CA7CA9
SCHEMBL30843852 0.75 HTT (0.55) CA12CA1CA2CA7CA9
SCHEMBL26967885 0.75 HTT (0.55) CA12CA1CA2CA7CA9
SCHEMBL6265018 0.75 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL28264640 0.75 CA12 (0.52) CA12CA1CA2CA7CA9

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