SCHEMBL8965856

SCHEMBL8965856

CCCOc1ccc(C(=O)c2ccc3c(c2)C(c2ccc(O)cc2)c2c-3ccc3cc(O)ccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.58
ESR2 Q92731 11/20 0.58
ABCG2 Q9UNQ0 1/20 0.39
LTA4H P09960 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
SCHEMBL9571852 0.81 ESR1 (0.54) ESR1ESR2LTA4H
SCHEMBL8966077 0.77 MEN1 (0.43) ESR1ESR2
SCHEMBL9742252 0.75 ESR1 (0.45) ESR1ESR2
SCHEMBL8966115 0.74 ESR1 (0.39) ESR1ESR2
SCHEMBL9741860 0.73 ESR1 (0.43) ESR1ESR2
SCHEMBL8966114 0.73 ESR1 (1.00) ESR1ESR2
SCHEMBL13845292 0.73 LTA4H (0.68) ESR1ESR2ABCG2LTA4H
SCHEMBL8966236 0.73 ESR1 (0.53) ESR1ESR2
SCHEMBL8966136 0.72 ESR1 (0.56) ESR1ESR2
SCHEMBL8965846 0.72 ESR1 (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524742-B1 Benzo(a)fluorene compounds LILLY CO ELI (US) 1996-02-28 EP disclosed
EP-0524742-A2 Benzo(a)fluorene compounds ELI LILLY AND COMPANY (US) 1993-01-27 EP disclosed
US-5147880-A Estrogenic and antiestrogenic activity ELI LILLY AND COMPANY (US) 1992-09-15 US disclosed