SCHEMBL7574152

SCHEMBL7574152

CC(=O)Oc1ccc2c(c1)CC(c1ccccc1)C2(O)Cc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.49
ESR2 Q92731 3/20 0.49
LTA4H P09960 7/20 0.45
HTT P42858 1/20 0.44
BCHE P06276 4/20 0.42
ACHE P22303 4/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7574268 0.91 LTA4H (0.47) ESR1ESR2LTA4HHTTKDM4E
SCHEMBL7580976 0.90 ESR1 (0.52) ESR1ESR2LTA4HHTT
SCHEMBL7580211 0.87 ESR1 (0.54) ESR1ESR2
SCHEMBL7575042 0.83 LTA4H (0.51) ESR1ESR2LTA4HHTT
SCHEMBL7573215 0.81 ESR1 (0.53) ESR1ESR2
SCHEMBL7582587 0.81 ESR1 (0.54) ESR1ESR2
SCHEMBL7582528 0.80 LTA4H (0.49) ESR1ESR2LTA4H
SCHEMBL7582157 0.79 ESR1 (0.49) ESR1ESR2LTA4H
SCHEMBL6142894 0.77 ESR1 (0.52) ESR1ESR2LTA4HHTTKDM4E
SCHEMBL6142890 0.77 ESR1 (0.52) ESR1ESR2LTA4HHTTKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994370-A ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1999-11-30 US claimed
EP-0873992-B1 Indene compounds having activity as SERMs LILLY CO ELI (US) 2002-09-25 EP disclosed
US-5994370-A ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1999-11-30 US disclosed
EP-0873992-A1 Indene compounds having activity as SERMs ELI LILLY AND COMPANY (US) 1998-10-28 EP disclosed