SCHEMBL7528598

SCHEMBL7528598

COc1ccc2c(c1)-c1ccc3cc(OC)ccc3c1C2c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.67
ESR2 Q92731 12/20 0.67
LTA4H P09960 2/20 0.47
PGR P06401 1/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
HTT P42858 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL7525280 0.99 ESR1 (0.69) ESR1ESR2LTA4H
SCHEMBL7528822 0.94 ESR1 (0.78) ESR1ESR2
SCHEMBL7528334 0.94 ESR1 (0.75) ESR1ESR2
SCHEMBL7527760 0.93 ESR1 (0.77) ESR1ESR2
SCHEMBL7529579 0.93 ESR1 (0.80) ESR1ESR2
SCHEMBL7533378 0.92 ESR1 (0.65) ESR1ESR2LTA4HPGRCHRM2
SCHEMBL8966218 0.92 ESR1 (0.76) ESR1ESR2HRH3
SCHEMBL7527242 0.92 ESR1 (0.66) ESR1ESR2LTA4HPGRCHRM2
SCHEMBL8966174 0.92 ESR1 (0.80) ESR1ESR2PGRCHRM2HTR1A
SCHEMBL8609168 0.91 ESR1 (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832881-B1 Benzofluorene compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2002-04-03 EP disclosed
EP-0832881-A2 Benzofluorene compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed