SCHEMBL6135904

SCHEMBL6135904

Oc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCCC3CCNCC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.60
ESR2 Q92731 6/20 0.60
ITGB3 P05106 11/20 0.43
ITGA2B P08514 11/20 0.43
ITGAV P06756 1/20 0.37
CHEK2 O96017 1/20 0.37

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
SCHEMBL6135908 0.97 ESR1 (0.59) ESR1ESR2ITGB3ITGA2BITGAV
SCHEMBL6136074 0.95 ESR1 (0.61) ESR1ESR2ITGB3ITGA2BCHEK2
SCHEMBL6135970 0.94 ESR1 (0.58) ESR1ESR2ITGB3ITGA2B
SCHEMBL6136015 0.92 ESR1 (0.57) ESR1ESR2ITGB3ITGA2BITGAV
SCHEMBL6135921 0.90 ESR1 (0.59) ESR1ESR2ITGB3ITGA2BCHEK2
SCHEMBL6135973 0.89 ESR1 (0.58) ESR1ESR2CHEK2
SCHEMBL6136156 0.89 ESR1 (0.59) ESR1ESR2
SCHEMBL6136055 0.87 ESR1 (0.58) ESR1ESR2ITGB3ITGA2B
SCHEMBL6135990 0.86 ESR1 (0.64) ESR1ESR2
SCHEMBL6136145 0.86 ESR1 (0.56) ESR1ESR2CHEK2

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