SCHEMBL8662709

SCHEMBL8662709

COc1ccccc1C(OCC1CC(O)CN1C(=O)C(F)(F)F)(c1ccccc1)c1ccccc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.37
SLC6A1 P30531 4/20 0.37
RIPK1 Q13546 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
RBP4 P02753 1/20 0.35
TTR P02766 1/20 0.35
ITGA4 P13612 1/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
PAX8 Q06710 1/20 0.32

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
SCHEMBL8662717 0.92 MTNR1B (0.37) MTNR1BSLC6A1RIPK1ITGB2ICAM1
SCHEMBL8660375 0.88 SLC6A1 (0.36) MTNR1BSLC6A1RIPK1ITGB2ICAM1
SCHEMBL8662093 0.86 PIK3CD (0.35) SLC6A1RIPK1ITGB2ICAM1ITGAL
SCHEMBL15592424 0.86 SLC6A11 (0.45) SLC6A1RIPK1LMNAKDM4EMEN1
SCHEMBL6858148 0.85 ITGA4 (0.39) RBP4ITGA4LMNAKDM4EMEN1
SCHEMBL8660410 0.84 POLB (0.44) LMNAKDM4EMEN1TP53POLB
SCHEMBL8661342 0.82 ALDH1A1 (0.35) SLC6A1HTTLMNAMEN1POLB
SCHEMBL8662809 0.82 CYP2D6 (0.37) SLC6A1RIPK1ITGB2ICAM1ITGAL
SCHEMBL8662486 0.82 MTNR1B (0.40) MTNR1BMEN1KMT2A
SCHEMBL8662934 0.82 SLC6A1 (0.33) SLC6A1RIPK1ITGB2ICAM1ITGAL

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 1 patent. 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