SCHEMBL30362997

SCHEMBL30362997

COc1ccc(C2CC(c3ccc(O)cc3)Oc3cc(O)ccc32)cc1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PLA2G10 O15496 1/20 0.46
PLA2G2A P14555 1/20 0.46
PLA2G5 P39877 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
PTPN1 P18031 1/20 0.42
TAS2R31 P59538 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL4972000 0.75 CYP19A1 (0.54) MEN1KMT2ATDP1
SCHEMBL18898168 0.73 MEN1 (0.49) MEN1KMT2AESR1ESR2
SCHEMBL2719223 0.73 MEN1 (0.49) MEN1KMT2AESR1ESR2
SCHEMBL15312297 0.73 MEN1 (0.49) MEN1KMT2AESR1ESR2
SCHEMBL30362919 0.73 MEN1 (0.49) MEN1KMT2AESR1ESR2
SCHEMBL10073997 0.73 MEN1 (0.49) MEN1KMT2AESR1ESR2
SCHEMBL4973196 0.73 PLA2G10 (0.48) PLA2G10PLA2G2APLA2G5ESR1ESR2
SCHEMBL30362939 0.72 MEN1 (0.44) MEN1KMT2ATDP1ALDH1A1
SCHEMBL30517758 0.72 MEN1 (0.44) MEN1KMT2ATDP1ALDH1A1
SCHEMBL8501518 0.71 ESR1 (0.56) ESR1ESR2

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
EP-4164632-A1 COMBINATION THERAPIES MEI Pharma, Inc. (US) 2023-04-19 EP disclosed