SCHEMBL8662934

SCHEMBL8662934

COCCOCCOCCOCC(=O)N1CC(O)CC1COC(c1ccccc1)(c1ccccc1OC)c1ccccc1OC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 4/20 0.33
ITGA4 P13612 2/20 0.31
SLC6A11 P48066 1/20 0.31
RIPK1 Q13546 1/20 0.31
RBP4 P02753 1/20 0.31
EPHX2 P34913 1/20 0.31
NAMPT P43490 1/20 0.30
HTT P42858 1/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL8661002 0.84 TP53 (0.33) SLC6A1SLC6A11HTT
SCHEMBL6858148 0.84 ITGA4 (0.39) ITGA4RBP4
SCHEMBL8660375 0.83 SLC6A1 (0.36) SLC6A1SLC6A11RIPK1RBP4HTT
SCHEMBL8662709 0.82 MTNR1B (0.37) SLC6A1ITGA4SLC6A11RIPK1RBP4
SCHEMBL8662093 0.82 PIK3CD (0.35) SLC6A1SLC6A11RIPK1RBP4HTT
SCHEMBL8662486 0.81 MTNR1B (0.40)
SCHEMBL8661410 0.79 ITGA4 (0.42) ITGA4
SCHEMBL8660382 0.79 DRD2 (0.38) ITGA4RIPK1RBP4EPHX2
SCHEMBL8660410 0.79 POLB (0.44)
SCHEMBL8661352 0.78 KMT2A (0.40) HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5714606-A OLIGONUCLEOTIDE HAVING RECEPTOR BINDING SITES; ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS, MEDICAL DIAGNOSIS ISIS PHARMACEUTICALS, INC. (US) 1998-02-03 US disclosed
EP-0739335-A4 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS INC (US) 1997-04-02 EP disclosed
EP-0739335-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
WO-1995018792-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 WO disclosed