SCHEMBL7414759

SCHEMBL7414759

COc1cc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3cc(O)ccc23)ccc1OCCN1CCCC1=O

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.72
ESR1 P03372 4/20 0.54
ESR2 Q92731 4/20 0.54

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
Oxalic Acid SCHEMBL7414117 0.97 F2 (0.69) F2ESR1ESR2
SCHEMBL7772357 0.92 F2 (0.85) F2ESR1ESR2
SCHEMBL7421782 0.91 F2 (0.82) F2ESR1ESR2
SCHEMBL7420436 0.90 F2 (0.59) F2ESR1ESR2
Oxalic Acid SCHEMBL7407861 0.89 F2 (0.78) F2ESR1ESR2
SCHEMBL7768361 0.86 F2 (0.72) F2ESR1ESR2
SCHEMBL7414127 0.85 F2 (0.82) F2ESR1ESR2
SCHEMBL7768397 0.85 F2 (0.75) F2ESR1ESR2
SCHEMBL7768213 0.85 F2 (0.75) F2ESR1ESR2
SCHEMBL6594996 0.84 F2 (1.00) F2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350774-B1 Antithrombotic agents ELI LILLY AND COMPANY 2002-02-26 US claimed