SCHEMBL6609558

SCHEMBL6609558

CCOC(=O)CCCOc1cc(-c2sc3ccccc3c2Cc2ccc(OCCN3CCCC3=O)cc2)ccc1OCCN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.47
ESR1 P03372 9/20 0.45
ESR2 Q92731 9/20 0.45
ITGA4 P13612 1/20 0.42

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 SCHEMBL6605352 0.98 F2 (0.45) F2ESR1ESR2ITGA4
SCHEMBL6609563 0.91 ESR1 (0.42) F2ESR1ESR2ITGA4
SCHEMBL6611328 0.91 F2 (0.49) F2ESR1ESR2ITGA4
Lithium SCHEMBL6611346 0.91 F2 (0.49) F2ESR1ESR2ITGA4
Lithium Ion SCHEMBL6611332 0.90 F2 (0.48) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL6605436 0.89 F2 (0.48) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL6605354 0.89 ESR1 (0.42) F2ESR1ESR2ITGA4
SCHEMBL6606510 0.88 F2 (0.50) F2ESR1ESR2ITGA4
SCHEMBL7415370 0.87 F2 (0.57) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL6605838 0.87 F2 (0.48) F2ESR1ESR2ITGA4

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-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