SCHEMBL6596648

SCHEMBL6596648

COC(=O)c1ccc(C(=O)c2c(-c3ccc(OC(C)N4CCCC4)cc3)sc3cc(OCc4ccccc4)ccc23)cc1C

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.49
ESR2 Q92731 20/20 0.49

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
SCHEMBL6599988 0.90 ESR1 (0.51) ESR1ESR2
SCHEMBL6596653 0.86 ESR1 (0.69) ESR1ESR2
SCHEMBL6564842 0.78 ESR1 (0.60) ESR1ESR2
Hydrochloric Acid SCHEMBL6564920 0.77 ESR1 (0.59) ESR1ESR2
SCHEMBL6565728 0.77 ESR1 (0.55) ESR1ESR2
SCHEMBL6172747 0.77 ESR1 (0.56) ESR1ESR2
SCHEMBL6566934 0.76 ESR1 (0.60) ESR1ESR2
SCHEMBL6169990 0.76 ESR1 (0.48) ESR1ESR2
SCHEMBL6563407 0.76 ESR1 (0.59) ESR1ESR2
Hydrochloric Acid SCHEMBL6565696 0.76 ESR1 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980366-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-06-09 EP disclosed
US-6271227-B1 ANTICOAGULANTS ELI LILLY AND COMPANY 2001-08-07 US disclosed