SCHEMBL7415648

SCHEMBL7415648

COC(=O)c1ccc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3ccccc23)cc1C

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.65
ESR2 Q92731 11/20 0.65
F2 P00734 8/20 0.60
ITGA4 P13612 1/20 0.52

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 SCHEMBL7411126 0.98 ESR1 (0.62) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL7413196 0.88 F2 (0.58) ESR1ESR2F2ITGA4
SCHEMBL6606711 0.87 ESR1 (0.60) ESR1ESR2F2ITGA4
SCHEMBL6592349 0.86 F2 (0.64) ESR1ESR2F2ITGA4
SCHEMBL7414626 0.85 F2 (0.63) ESR1ESR2F2ITGA4
SCHEMBL7972400 0.83 ESR1 (0.59) ESR1ESR2F2ITGA4
SCHEMBL6596926 0.83 ITGA4 (0.69) ESR1ESR2F2ITGA4
SCHEMBL6172878 0.83 ESR1 (0.66) ESR1ESR2F2ITGA4
SCHEMBL6606766 0.83 ESR1 (0.55) ESR1ESR2F2ITGA4
SCHEMBL6596335 0.82 ITGA4 (0.68) ESR1ESR2F2ITGA4

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 disclosed