SCHEMBL6136022

SCHEMBL6136022

Oc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCC3CCCNC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.60
ESR2 Q92731 15/20 0.60
HPGD P15428 2/20 0.38
MAP2K1 Q02750 1/20 0.38
F2 P00734 1/20 0.36

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
SCHEMBL6136156 0.96 ESR1 (0.59) ESR1ESR2MAP2K1F2
SCHEMBL6136055 0.95 ESR1 (0.58) ESR1ESR2MAP2K1F2
SCHEMBL6135921 0.95 ESR1 (0.59) ESR1ESR2F2
SCHEMBL6136133 0.91 ESR1 (0.57) ESR1ESR2HPGDMAP2K1
SCHEMBL6135970 0.90 ESR1 (0.58) ESR1ESR2F2
SCHEMBL6136015 0.89 ESR1 (0.57) ESR1ESR2
SCHEMBL6136074 0.89 ESR1 (0.61) ESR1ESR2HPGDF2
SCHEMBL6136215 0.86 ESR1 (0.65) ESR1ESR2F2
SCHEMBL6136145 0.85 ESR1 (0.56) ESR1ESR2MAP2K1
SCHEMBL6135904 0.84 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0895989-B1 1-[4-(Substituted alkoxy)benzyl] naphthalene compounds having estrogen inhibitory activity LILLY CO ELI (US) 2005-05-18 EP claimed
WO-1999007377-A1 1-[4-(SUBSTITUTED ALKOXY)BENZYL]NAPHTHALENE COMPOUNDS HAVING ESTROGEN INHIBITORY ACTIVITY ELI LILLY AND COMPANY (US) 1999-02-18 WO claimed
EP-0895989-A1 1-[4-(Substituted alkoxy)benzyl] naphthalene compounds having estrogen inhibitory activity ELI LILLY AND COMPANY (US) 1999-02-10 EP claimed
EP-0895989-B1 1-[4-(Substituted alkoxy)benzyl] naphthalene compounds having estrogen inhibitory activity LILLY CO ELI (US) 2005-05-18 EP disclosed
US-6509356-B1 Estrogen inhibitory activity method for the treatment of breast cancer in a woman comprising administering to a patient a therapeutically effective amount of a compound ELI LILLY AND COMPANY 2003-01-21 US disclosed
WO-1999007377-A1 1-[4-(SUBSTITUTED ALKOXY)BENZYL]NAPHTHALENE COMPOUNDS HAVING ESTROGEN INHIBITORY ACTIVITY ELI LILLY AND COMPANY (US) 1999-02-18 WO disclosed
EP-0895989-A1 1-[4-(Substituted alkoxy)benzyl] naphthalene compounds having estrogen inhibitory activity ELI LILLY AND COMPANY (US) 1999-02-10 EP disclosed