SCHEMBL4640636

SCHEMBL4640636

O=c1oc2cc(O)c(Br)cc2c(Cc2ccc(OCCC3CCCN3)cc2)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.45
LTA4H P09960 1/20 0.36
VKORC1 Q9BQB6 1/20 0.36

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
SCHEMBL4639606 0.90 ESR1 (0.41) ESR1LTA4H
SCHEMBL4640167 0.89 ESR1 (0.57) ESR1
SCHEMBL6152326 0.86 CYP19A1 (0.51) ESR1
SCHEMBL4912016 0.85 ESR1 (0.51) ESR1LTA4H
SCHEMBL4639556 0.85 ESR1 (0.42) ESR1LTA4H
SCHEMBL4639760 0.84 ESR1 (0.45) ESR1LTA4H
SCHEMBL4639650 0.82 ESR1 (0.42) ESR1LTA4HVKORC1
SCHEMBL6152270 0.79 ESR1 (0.47) ESR1
SCHEMBL4641971 0.77 ESR1 (0.59) ESR1LTA4H
SCHEMBL6152455 0.76 CYP19A1 (0.44) ESR1

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-1667999-A4 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2008-08-06 EP disclosed
EP-1667999-A1 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2006-06-14 EP disclosed
WO-2005028472-A1 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2005-03-31 WO disclosed