SCHEMBL5313119

SCHEMBL5313119

CC(NC1CCCCC1)C(=O)O.CN[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
EPHX2 P34913 3/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MMP2 P08253 3/20 0.34
CPB2 Q96IY4 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
MMP14 P50281 1/20 0.34
EPHX1 P07099 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL5313120 1.00 SMN1; SMN2 (0.36) SMN1; SMN2EPHX2LMNAKMT2AALDH1A1
SCHEMBL15741907 0.88 EPHX2 (0.43) SMN1; SMN2EPHX2LMNAKMT2AALDH1A1
SCHEMBL15741908 0.88 EPHX2 (0.43) SMN1; SMN2EPHX2LMNAKMT2AALDH1A1
SCHEMBL4855400 0.86 SMN1; SMN2 (0.40) SMN1; SMN2EPHX2LMNAKMT2AALDH1A1
SCHEMBL2244922 0.83 EPHX2 (0.42) SMN1; SMN2EPHX2LMNAKMT2AALDH1A1
SCHEMBL9811897 0.83 EPHX2 (0.42) SMN1; SMN2EPHX2LMNAKMT2AALDH1A1
SCHEMBL2254208 0.83 EPHX2 (0.42) SMN1; SMN2EPHX2LMNAKMT2AALDH1A1
SCHEMBL2247731 0.81 KMT2A (0.41) SMN1; SMN2EPHX2LMNAKMT2AALDH1A1
Glutamine SCHEMBL3974114 0.80 BLM (0.47) SMN1; SMN2LMNAKMT2AALDH1A1CYP3A4
SCHEMBL21167241 0.78 KMT2A (0.41) SMN1; SMN2EPHX2LMNAKMT2AMMP2

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
EP-2922862-A1 COMPLEX-FORMATION-MODULATING AGENTS AND USES THEREFOR Queensland University Of Technology (AU) 2015-09-30 EP disclosed
WO-2014078896-A1 COMPLEX-FORMATION-MODULATING AGENTS AND USES THEREFOR QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2014-05-30 WO disclosed
WO-2007045873-A2 MEDICAL USES AND THERAPIES BASED UPON THE ACTION OF AZUROCIDIN ON IGFBP-1 RUTHERFORD, JODIE (GB) 2007-04-26 WO disclosed
EP-1530589-A2 FRAGMENTS OF PROINSULIN C-PEPTIDE Creative Peptides Sweden AB (SE) 2005-05-18 EP disclosed
WO-2004016647-A2 FRAGMENTS OF PROINSULIN C-PEPTIDE CREATIVE PEPTIDES SWEDEN AB (SE) 2004-02-26 WO disclosed