SCHEMBL30279727

SCHEMBL30279727

COc1cc(Br)cc(OCC=C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
MDM2 Q00987 1/20 0.47
MGAM O43451 4/20 0.40
GAA P10253 4/20 0.40
SI P14410 4/20 0.40
MGAM2 Q2M2H8 4/20 0.40
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MTNR1A P48039 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP19A1 P11511 1/20 0.38
TRPA1 O75762 1/20 0.38
ALOX5 P09917 2/20 0.37
PTGES O14684 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
SCHEMBL23581049 1.00 TP53 (0.47) TP53MDM2MGAMGAASI
SCHEMBL23580859 0.86 KDM4E (0.39) TP53MDM2MGAMGAASI
SCHEMBL30279813 0.86 KDM4E (0.39) TP53MDM2MGAMGAASI
SCHEMBL30279792 0.83 TP53 (0.43) TP53MDM2MGAMGAASI
SCHEMBL23580922 0.83 TP53 (0.43) TP53MDM2MGAMGAASI
SCHEMBL30279795 0.83 KDM4E (0.38) TP53MDM2MGAMGAASI
SCHEMBL23580919 0.83 KDM4E (0.38) TP53MDM2MGAMGAASI
SCHEMBL23601795 0.81 GAA (0.41) TP53MDM2MGAMGAASI
SCHEMBL23580897 0.81 MGAM (0.40) TP53MDM2MGAMGAASI
SCHEMBL23580948 0.81 KDM4E (0.36) TP53MDM2MGAMGAASI

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
CN-115485259-A Substituted hydroxystilbene compounds and derivatives, synthesis and use thereof 凯楠公爵IP有限责任公司 2022-12-16 CN disclosed