SCHEMBL9729395

SCHEMBL9729395

CCNC(CC(=O)OCC)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 6/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CHRM1 P11229 1/20 0.40
ADORA1 P30542 1/20 0.40
TRPA1 O75762 1/20 0.40
CAD P27708 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL30900741 0.85 GAA (0.45) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL18595367 0.85 GAA (0.45) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL13791979 0.83 KMT2A (0.47) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL31121509 0.83 KMT2A (0.47) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL16077523 0.83 L3MBTL1 (0.44) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL25825870 0.83 L3MBTL1 (0.44) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL5474645 0.82 KMT2A (0.47) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL8583399 0.82 GAA (0.50) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL8583393 0.82 GAA (0.50) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL13624780 0.82 GAA (0.50) GAAMGAMSIMGAM2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275407-A1 ASPARTIC RESINS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2014-09-18 US disclosed
US-5093486-A Side effect reduction AKZO N.V. (NL) 1992-03-03 US disclosed
US-4981959-A Modified cellulose for biocompatible dialysis membranes II and process for preparation thereof AKZO N.V. (NL) 1991-01-01 US disclosed