SCHEMBL6854308

SCHEMBL6854308

COC(OC)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1CCCN1CC(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.37
TP53 P04637 2/20 0.37
FABP5 Q01469 2/20 0.34
CHRM3 P20309 2/20 0.34
FABP7 O15540 1/20 0.33
OPRD1 P41143 1/20 0.33
PIN1 Q13526 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CASP3 P42574 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
SCHEMBL8734295 0.85 CHRM3 (0.39) MDM4TP53FABP5CHRM3FABP7
SCHEMBL8729229 0.84 LMNA (0.39) MDM4TP53FABP5FABP7OPRD1
SCHEMBL8729183 0.84 LMNA (0.39) MDM4TP53FABP5FABP7OPRD1
SCHEMBL6853795 0.84 LMNA (0.39) MDM4TP53FABP5FABP7OPRD1
SCHEMBL6849920 0.78 CHRM3 (0.46) MDM4TP53FABP5CHRM3FABP7
SCHEMBL6855668 0.77 FABP5 (0.37) MDM4TP53FABP5FABP7OPRD1
SCHEMBL6858060 0.77 FABP5 (0.37) MDM4TP53FABP5FABP7OPRD1
SCHEMBL8732800 0.75 FABP5 (0.37) MDM4TP53FABP5FABP7OPRD1
SCHEMBL8727525 0.74 LMNA (0.37) CHRM3
SCHEMBL8729145 0.74 LMNA (0.37) CHRM3

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 5 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
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed