SCHEMBL9713261

SCHEMBL9713261

CC(c1ccc(Oc2ccccc2)cc1)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1.COc1ccc(C(C)(c2ccc(O)c(-c3ccccc3)c2)c2ccc(O)c(-c3ccccc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
BACE1 P56817 4/20 0.47
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PELI1 Q96FA3 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
PDE4B Q07343 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
NCOA1 Q15788 1/20 0.39

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
SCHEMBL9713478 0.95 ESR1 (0.51) BACE1ESR1ESR2MAPTKDM4E
SCHEMBL9713335 0.95 ESR1 (0.51) LTA4HBACE1ESR1ESR2MEN1
SCHEMBL23861344 0.84 ESR2 (0.62) BACE1ESR1ESR2PELI1ALDH1A1
SCHEMBL835714 0.83 ESR1 (0.66) BACE1ESR1ESR2PELI1ALDH1A1
SCHEMBL30174968 0.83 ESR1 (0.66) BACE1ESR1ESR2PELI1ALDH1A1
SCHEMBL9817035 0.82 BACE1 (0.53) BACE1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL9713660 0.81 ESR2 (0.59) BACE1ESR1ESR2MAPTKDM4E
SCHEMBL23861365 0.81 ESR2 (0.59) BACE1ESR1ESR2MAPTKDM4E
1,4-Dimethoxybenzene SCHEMBL7460138 0.81 BACE1 (0.59) LTA4HBACE1ESR1ESR2MAPT
SCHEMBL9713538 0.80 ESR1 (0.48) LTA4HBACE1ESR1ESR2MAPT

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-0249963-B1 POLYCARBONATES IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-04-22 EP claimed