SCHEMBL6135921

SCHEMBL6135921

Oc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCC3CCNC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.59
ESR2 Q92731 11/20 0.59
HRH3 Q9Y5N1 1/20 0.40
PRKCZ Q05513 1/20 0.38
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
CHEK2 O96017 1/20 0.36
SLC6A3 Q01959 1/20 0.36
F2 P00734 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL6135970 0.95 ESR1 (0.58) ESR1ESR2HRH3PRKCZSLC6A2
SCHEMBL6136015 0.95 ESR1 (0.57) ESR1ESR2HRH3PRKCZSLC6A2
SCHEMBL6136022 0.95 ESR1 (0.60) ESR1ESR2F2
SCHEMBL6136074 0.94 ESR1 (0.61) ESR1ESR2CHEK2F2ITGB3
SCHEMBL6136145 0.91 ESR1 (0.56) ESR1ESR2HRH3PRKCZSLC6A2
SCHEMBL6136156 0.90 ESR1 (0.59) ESR1ESR2F2
SCHEMBL6135904 0.90 ESR1 (0.60) ESR1ESR2CHEK2ITGB3ITGA2B
SCHEMBL6136055 0.89 ESR1 (0.58) ESR1ESR2F2ITGB3ITGA2B
SCHEMBL6135908 0.89 ESR1 (0.59) ESR1ESR2SLC6A4ITGB3ITGA2B
SCHEMBL6135973 0.87 ESR1 (0.58) ESR1ESR2PRKCZSLC6A2SLC6A4

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 6 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
EP-0895989-A1 1-[4-(Substituted alkoxy)benzyl] naphthalene compounds having estrogen inhibitory activity ELI LILLY AND COMPANY (US) 1999-02-10 EP disclosed