SCHEMBL6828042

SCHEMBL6828042

COc1cc(C)c(Br)c(C(=O)O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CYP3A4 P08684 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 2/20 0.48
GFER P55789 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL6828020 0.84 POLB (0.46) MEN1KMT2ACYP3A4MAPTHPGD
SCHEMBL9039455 0.81 CYP3A4 (0.55) MEN1KMT2ACYP3A4MAPTHPGD
SCHEMBL14511729 0.80 CYP3A4 (0.56) MEN1KMT2ACYP3A4MAPTHPGD
SCHEMBL31638876 0.79 CYP3A4 (0.63) MEN1KMT2ACYP3A4MAPTHPGD
SCHEMBL8870135 0.77 LCK (0.43) MEN1KMT2ACYP3A4MAPTHPGD
SCHEMBL30892441 0.76 CYP3A4 (0.73) MEN1KMT2ACYP3A4MAPTHPGD
SCHEMBL14094952 0.76 CYP3A4 (0.68) MEN1KMT2ACYP3A4MAPTHPGD
SCHEMBL23629456 0.76 LCK (0.42) MEN1KMT2ACYP3A4MAPTHPGD
SCHEMBL6828398 0.76 CYP3A4 (0.47) MEN1KMT2ACYP3A4MAPTHPGD
SCHEMBL15259689 0.76 KDM4E (0.41) MEN1KMT2ACYP3A4HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 WO disclosed