SCHEMBL8519146

SCHEMBL8519146

O=S(=O)(CCN1CCCCC1)Nc1cc2cc(O)ccc2c(Oc2ccccc2)c1-c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.50
ESR2 Q92731 16/20 0.50

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
SCHEMBL8403332 0.84 ESR1 (0.54) ESR1ESR2
SCHEMBL8518479 0.84 ESR1 (0.52) ESR1ESR2
SCHEMBL8519431 0.83 ESR1 (0.52) ESR1ESR2
SCHEMBL8403321 0.83 ESR1 (0.52) ESR1ESR2
SCHEMBL8402296 0.82 MEN1 (0.54) ESR1ESR2
Hydrochloric Acid SCHEMBL8403682 0.81 MEN1 (0.53) ESR1ESR2
SCHEMBL8594724 0.81 MEN1 (0.53) ESR1ESR2
Hydrochloric Acid SCHEMBL8497572 0.79 ESR1 (0.54) ESR1ESR2
SCHEMBL8401756 0.79 ESR1 (0.51) ESR1ESR2
SCHEMBL8400253 0.78 ESR1 (0.47) 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
US-5929090-A NOVEL COMPOUNDS FOR TREATING ESTROGEN DEPRIVATION CAUSED BY MENOPAUSE OR OVARIECTOMY; TREATING OSTEOPOROSIS, CARDIOVASCULAR DISEASES, AND ENDOMETRIOSIS ELI LILLY AND COMPANY (US) 1999-07-27 US disclosed