SCHEMBL6855039

SCHEMBL6855039

O=C(OCC1c2ccccc2-c2ccccc21)N1CC2=C[C@@H](O)CCC2CC1CO

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
FABP5 Q01469 3/20 0.35
FABP7 O15540 2/20 0.35
EPHX2 P34913 1/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
TSHR P16473 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
OPRD1 P41143 1/20 0.31
GBA1 P04062 1/20 0.31
MDM4 O15151 1/20 0.30
TP53 P04637 1/20 0.30
PARP1 P09874 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
SCHEMBL6856330 0.77 FABP5 (0.33) FABP5FABP7MDM4TP53
SCHEMBL6800164 0.77 KMT2A (0.41) KMT2AFABP5FABP7EPHX2DPP8
SCHEMBL6856244 0.77 KMT2A (0.41) KMT2AFABP5FABP7EPHX2DPP8
SCHEMBL6855043 0.74 KMT2A (0.37) KMT2AFABP5FABP7EPHX2DPP8
SCHEMBL14891093 0.73 L3MBTL1 (0.45) KMT2AFABP5FABP7EPHX2
SCHEMBL29402007 0.73 L3MBTL1 (0.45) KMT2AFABP5FABP7EPHX2
SCHEMBL30821975 0.73 L3MBTL1 (0.45) KMT2AFABP5FABP7EPHX2
SCHEMBL2043044 0.73 L3MBTL1 (0.45) KMT2AFABP5FABP7EPHX2
SCHEMBL6955887 0.72 CHRM2 (0.42) KMT2AFABP5FABP7EPHX2
SCHEMBL16250397 0.69 KMT2A (0.42) KMT2AFABP5FABP7EPHX2DPP8

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-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 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