SCHEMBL6424040

SCHEMBL6424040

O=Cc1ccc(OCCN2CCCCC2)cc1-c1cc(O)ccc1-c1ccc2cc(O)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.55
ESR2 Q92731 19/20 0.55

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
SCHEMBL6424596 0.87 FLT3 (0.49)
SCHEMBL226583 0.81 ESR1 (0.63) ESR1ESR2
SCHEMBL4661967 0.78 MAOB (0.58)
SCHEMBL227158 0.78 ESR1 (0.69) ESR1ESR2
SCHEMBL227601 0.78 ESR1 (0.69) ESR1ESR2
SCHEMBL227625 0.77 ESR1 (0.63) ESR1ESR2
SCHEMBL987943 0.76 ESR1 (0.64) ESR1ESR2
SCHEMBL6748770 0.76 ESR1 (0.58) ESR1ESR2
Hydrochloric Acid SCHEMBL3974968 0.75 ESR1 (0.64) ESR1ESR2
SCHEMBL229181 0.75 ESR1 (0.60) 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
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP disclosed