SCHEMBL6597333

SCHEMBL6597333

O=C(O)CNCCOc1ccc(-c2sc3ccccc3c2Cc2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.58
ITGA4 P13612 1/20 0.57
ESR1 P03372 9/20 0.56
ESR2 Q92731 9/20 0.56
LTA4H P09960 1/20 0.47

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
SCHEMBL6594720 0.95 F2 (0.56) F2ITGA4ESR1ESR2
SCHEMBL7415846 0.90 F2 (0.62) F2ITGA4ESR1ESR2LTA4H
SCHEMBL6599171 0.90 F2 (0.54) F2ITGA4ESR1ESR2LTA4H
SCHEMBL7768352 0.88 F2 (0.59) F2ITGA4ESR1ESR2LTA4H
Oxalic Acid SCHEMBL6174272 0.87 F2 (0.57) F2ITGA4ESR1ESR2
SCHEMBL6596926 0.87 ITGA4 (0.69) F2ITGA4ESR1ESR2LTA4H
Oxalic Acid SCHEMBL7986025 0.87 F2 (0.62) F2ITGA4ESR1ESR2LTA4H
SCHEMBL6596335 0.86 ITGA4 (0.68) F2ITGA4ESR1ESR2LTA4H
SCHEMBL6597629 0.86 F2 (0.67) F2ITGA4ESR1ESR2LTA4H
SCHEMBL7982501 0.86 F2 (0.67) F2ITGA4ESR1ESR2LTA4H

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