SCHEMBL6858153

SCHEMBL6858153

COc1cccc(C(OCC2CC(O)CN2C(=O)Cc2ccccc2)(c2ccccc2)c2ccccc2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 5/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HIF1A Q16665 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SLC6A12 P48065 1/20 0.35
OPRK1 P41145 1/20 0.35
NPC1 O15118 1/20 0.34
MC4R P32245 2/20 0.34
MC3R P41968 2/20 0.34
MC1R Q01726 2/20 0.34

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
SCHEMBL6858148 0.92 ITGA4 (0.39) ITGA4LMNATP53KDM4EALOX15
SCHEMBL8661415 0.91 ITGA4 (0.41) ITGA4KMT2AMEN1OPRK1
SCHEMBL8661353 0.90 ITGA4 (0.40) ITGA4LMNATP53ALDH1A1OPRK1
SCHEMBL8660379 0.88 SLC6A1 (0.34) LMNAKDM4EALDH1A1HIF1AKMT2A
SCHEMBL8660417 0.88 POLB (0.43) TP53ALDH1A1HIF1AKMT2AMEN1
SCHEMBL8661457 0.88 HPGD (0.35) ITGA4KDM4EALDH1A1HIF1ASLC6A12
SCHEMBL8662098 0.86 PIK3CD (0.34) KDM4EALDH1A1HIF1A
SCHEMBL8662717 0.86 MTNR1B (0.37) ITGA4LMNATP53KDM4EALOX15
SCHEMBL8662489 0.86 MTNR1B (0.41) KMT2AMEN1
SCHEMBL8662075 0.85 TSPO (0.36) ITGA4LMNAKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-6184389-B1 FEATURE A PLURALITY OF FUNCTIONAL GROUPS ATTACHED TO BACKBONE AND PHOSPHORAMIDATE SITES ISIS PHARMACEUTICALS, INC. 2001-02-06 US disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
US-5714606-A OLIGONUCLEOTIDE HAVING RECEPTOR BINDING SITES; ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS, MEDICAL DIAGNOSIS ISIS PHARMACEUTICALS, INC. (US) 1998-02-03 US disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed