SCHEMBL16256325

SCHEMBL16256325

CCOC(=O)CC(NCCCCNCCCNC(CC(=O)OCC)C(=O)OCC)C(=O)I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
LTA4H P09960 5/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 2/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM1 P11229 1/20 0.31
ADORA1 P30542 1/20 0.31

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 0.93 KMT2A (0.42) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL16239707 0.91 KMT2A (0.43) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL12470925 0.90 KMT2A (0.44) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL13791979 0.85 KMT2A (0.47) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL31121509 0.85 KMT2A (0.47) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL15499512 0.82 PAOX (0.40) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL15511985 0.82 PAOX (0.40) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL25825870 0.82 L3MBTL1 (0.44) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL27641985 0.81 KMT2A (0.44) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL27641987 0.81 KMT2A (0.44) KMT2APOLBL3MBTL1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673310-B1 TISSUE ADHESIVE BASED ON NITROGEN-MODIFIED ASPARTATES MEDICAL ADHESIVE REVOLUTION GMBH (DE) 2014-11-19 EP disclosed