SCHEMBL8501518

SCHEMBL8501518

COc1ccc(C2CC(c3ccc(OCCN4CCCC4)cc3)c3ccc(O)cc3O2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.56
ESR2 Q92731 19/20 0.56

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
SCHEMBL8501598 0.85 ESR1 (0.58) ESR1ESR2
SCHEMBL8527601 0.80 SIGMAR1 (0.44) ESR1ESR2
SCHEMBL7022140 0.80 ESR1 (0.77) ESR1ESR2
SCHEMBL8344173 0.80 ESR1 (0.77) ESR1ESR2
SCHEMBL7022133 0.80 ESR1 (0.77) ESR1ESR2
SCHEMBL8501958 0.80 ESR1 (0.77) ESR1ESR2
SCHEMBL8344170 0.80 ESR1 (0.77) ESR1ESR2
SCHEMBL7022128 0.80 ESR1 (0.77) ESR1ESR2
SCHEMBL8341472 0.76 ESR1 (0.66) ESR1ESR2
SCHEMBL7023161 0.76 ESR1 (0.66) 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-0937060-A1 NOVEL $i(CIS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-25 EP claimed
WO-1998018776-A1 NOVEL CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO claimed