SCHEMBL9054865

SCHEMBL9054865

CCOc1ccc(C2=C(C(=O)c3ccc(O)cc3)c3ccc(OC)cc3CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.60
ESR2 Q92731 4/20 0.60
CYP26A1 O43174 2/20 0.43
CYP24A1 Q07973 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
MIF P14174 1/20 0.43
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 1/20 0.41
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
SLC22A12 Q96S37 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 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
SCHEMBL6135986 0.91 ESR1 (0.58) ESR1ESR2CYP26A1CYP24A1MIF
SCHEMBL3861662 0.87 ESR1 (0.60) ESR1ESR2CYP26A1CYP24A1MIF
SCHEMBL3862097 0.87 ESR1 (0.52) ESR1ESR2MAPTKDM4ENPC1
SCHEMBL9056785 0.86 ESR1 (0.56) ESR1ESR2HCRTR1HCRTR2MAPT
SCHEMBL11187364 0.84 ESR1 (0.55) ESR1ESR2MAPTEBPSIGMAR1
SCHEMBL7107472 0.84 ESR1 (0.52) ESR1ESR2CYP26A1CYP24A1MIF
SCHEMBL7113206 0.84 ESR1 (0.48) ESR1ESR2CYP26A1CYP24A1MIF
SCHEMBL7108932 0.84 ESR1 (0.52) ESR1ESR2CYP26A1CYP24A1MIF
SCHEMBL3861641 0.83 ESR1 (0.55) ESR1ESR2MAPTKDM4EEBP
SCHEMBL9571848 0.82 ESR1 (0.51) ESR1ESR2CYP26A1MIFMAPT

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-1996009051-A1 A METHOD FOR MINIMIZING THE UTEROTROPHIC EFFECT OF TAMOXIFEN AND TAMOXIFEN ANALOGS ELI LILLY AND COMPANY (US) 1996-03-28 WO disclosed