SCHEMBL16239707

SCHEMBL16239707

CCOC(=O)CC(NCCCNCCCNC(CC(=O)OCC)C(=O)OCC)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM1 P11229 1/20 0.36
ADORA1 P30542 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16239915 0.98 KMT2A (0.42) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL12470925 0.95 KMT2A (0.44) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL16256325 0.91 KMT2A (0.38) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL15511985 0.90 PAOX (0.40) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL15499512 0.90 PAOX (0.40) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL13791979 0.90 KMT2A (0.47) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL25825870 0.90 L3MBTL1 (0.44) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL31121509 0.90 KMT2A (0.47) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL5474645 0.88 KMT2A (0.47) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL16016332 0.85 KMT2A (0.45) KMT2APOLBL3MBTL1GAAMGAM

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-9421298-B2 Tissue adhesive based on nitrogen-modified aspartates ADHESYS MEDICAL GMBH (DE) 2016-08-23 US disclosed
EP-2673310-B1 TISSUE ADHESIVE BASED ON NITROGEN-MODIFIED ASPARTATES MEDICAL ADHESIVE REVOLUTION GMBH (DE) 2014-11-19 EP disclosed
EP-2673310-B1 TISSUE ADHESIVE BASED ON NITROGEN-MODIFIED ASPARTATES MEDICAL ADHESIVE REVOLUTION GMBH (DE) 2014-11-19 EP disclosed