SCHEMBL6135900

SCHEMBL6135900

Oc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCCCC3CCCCN3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.62
ESR2 Q92731 8/20 0.62
SSTR2 P30874 3/20 0.41
LTA4H P09960 6/20 0.40
CHEK2 O96017 1/20 0.39
F2 P00734 1/20 0.38

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
SCHEMBL6135934 0.97 ESR1 (0.63) ESR1ESR2SSTR2LTA4HCHEK2
SCHEMBL6136054 0.97 ESR1 (0.63) ESR1ESR2SSTR2LTA4HF2
SCHEMBL3714380 0.95 ESR1 (0.64) ESR1ESR2SSTR2LTA4HCHEK2
SCHEMBL6135990 0.95 ESR1 (0.64) ESR1ESR2SSTR2LTA4HF2
Hydrochloric Acid SCHEMBL5256714 0.94 ESR1 (0.66) ESR1ESR2SSTR2LTA4HCHEK2
SCHEMBL6136215 0.92 ESR1 (0.65) ESR1ESR2SSTR2LTA4HCHEK2
SCHEMBL6135993 0.89 ESR1 (0.58) ESR1ESR2LTA4H
Hydrochloric Acid SCHEMBL6004702 0.89 ESR1 (0.59) ESR1ESR2SSTR2LTA4HCHEK2
SCHEMBL6136258 0.87 ESR1 (0.46) ESR1ESR2SSTR2LTA4HCHEK2
SCHEMBL6136203 0.86 ESR1 (0.59) ESR1ESR2LTA4H

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