SCHEMBL7075018

SCHEMBL7075018

O=C1c2ccc(O)cc2CC12C=C1CC=C(OCCN3CCCCC3)C=C1C2

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.46
ESR2 Q92731 14/20 0.46
HRH3 Q9Y5N1 3/20 0.39

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
SCHEMBL7070791 0.75 ESR2 (0.38) ESR1ESR2
SCHEMBL6796544 0.71 ESR1 (0.57) ESR1ESR2HRH3
SCHEMBL6801025 0.66 HRH3 (0.57) ESR1ESR2HRH3
SCHEMBL6797161 0.64 ESR1 (0.58) ESR1ESR2HRH3
SCHEMBL5578990 0.60 ESR1 (0.61) ESR1ESR2
SCHEMBL6829259 0.60 ESR1 (0.51) ESR1ESR2HRH3
SCHEMBL6796784 0.59 HRH3 (0.57) ESR1HRH3
SCHEMBL1796383 0.59 HRH3 (0.72) HRH3
SCHEMBL1797535 0.59 HRH3 (0.72) HRH3
SCHEMBL11754397 0.59 HRH3 (0.72) HRH3

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-1339662-A1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS III KARO BIO AB (SE) 2003-09-03 EP disclosed
WO-2002046134-A1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS III KARO BIO AB (SE) 2002-06-13 WO disclosed