SCHEMBL6856244

SCHEMBL6856244

O=C(OCC1c2ccccc2-c2ccccc21)N1CC(O)CC1CO

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
EPHX2 P34913 1/20 0.39
GBA1 P04062 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
OPRD1 P41143 1/20 0.35
TSHR P16473 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 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
SCHEMBL6800164 1.00 KMT2A (0.41) KMT2AFABP5FABP7EPHX2GBA1
SCHEMBL13669346 0.89 KMT2A (0.41) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL6855043 0.86 KMT2A (0.37) KMT2AFABP5FABP7EPHX2GBA1
SCHEMBL8374789 0.85 KMT2A (0.40) KMT2AFABP5FABP7EPHX2POLB
SCHEMBL1335555 0.82 FABP5 (0.46) KMT2AFABP5FABP7EPHX2POLB
SCHEMBL1334889 0.82 FABP5 (0.46) KMT2AFABP5FABP7EPHX2POLB
SCHEMBL1000852 0.82 FABP5 (0.46) KMT2AFABP5FABP7EPHX2POLB
SCHEMBL1336708 0.82 FABP5 (0.46) KMT2AFABP5FABP7EPHX2POLB
SCHEMBL4612189 0.82 FABP5 (0.46) KMT2AFABP5FABP7EPHX2POLB
SCHEMBL1000853 0.82 FABP5 (0.46) KMT2AFABP5FABP7EPHX2POLB

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 9 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
EP-0739335-A4 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS INC (US) 1997-04-02 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO 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