SCHEMBL6603846

SCHEMBL6603846

COC(=O)CCCOc1ccc(-c2sc3ccccc3c2Cc2ccc(OCCN3CCCC3)cc2)cc1C=O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.52
ESR2 Q92731 9/20 0.52
F2 P00734 9/20 0.51
ITGA4 P13612 1/20 0.46

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 SCHEMBL7989671 0.98 ESR1 (0.50) ESR1ESR2F2ITGA4
SCHEMBL7985788 0.91 ESR1 (0.52) ESR1ESR2F2ITGA4
SCHEMBL7983860 0.91 F2 (0.53) ESR1ESR2F2ITGA4
SCHEMBL7972400 0.91 ESR1 (0.59) ESR1ESR2F2ITGA4
SCHEMBL6604504 0.91 F2 (0.58) ESR1ESR2F2ITGA4
SCHEMBL6606766 0.91 ESR1 (0.55) ESR1ESR2F2ITGA4
SCHEMBL7983864 0.90 F2 (0.52) ESR1ESR2F2ITGA4
SCHEMBL7456629 0.90 ESR1 (0.51) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL7971945 0.89 F2 (0.50) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL6609726 0.89 ESR1 (0.53) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244655-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-02-18 EP disclosed
US-6620837-B1 1-Benzothiophene derivatives ELI LILLY AND COMPANY 2003-09-16 US disclosed
EP-1244655-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2002-10-02 EP disclosed
US-6284756-B1 ANTICOAGULANT ELI LILLY AND COMPANY 2001-09-04 US disclosed
WO-2001036414-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2001-05-25 WO disclosed