SCHEMBL15499512

SCHEMBL15499512

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.40
KDM4E B2RXH2 6/20 0.39
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 2/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
DNM1 Q05193 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL15511985 1.00 PAOX (0.40) PAOXKDM4EKMT2APOLBTDP1
SCHEMBL16239707 0.90 KMT2A (0.43) KMT2APOLBTDP1L3MBTL1HTT
SCHEMBL16239915 0.89 KMT2A (0.42) KMT2APOLBTDP1L3MBTL1HTT
SCHEMBL15498541 0.86 KMT2A (0.43) KMT2APOLBTDP1L3MBTL1HTT
SCHEMBL12470925 0.86 KMT2A (0.44) KMT2APOLBTDP1L3MBTL1HTT
SCHEMBL11234189 0.85 KDM4E (0.43) PAOXKDM4EKMT2APOLBHTT
SCHEMBL16256325 0.82 KMT2A (0.38) KMT2APOLBTDP1L3MBTL1HTT
SCHEMBL13791979 0.81 KMT2A (0.47) KMT2APOLBTDP1L3MBTL1HTT
SCHEMBL31121509 0.81 KMT2A (0.47) KMT2APOLBTDP1L3MBTL1HTT
SCHEMBL25825870 0.81 L3MBTL1 (0.44) KMT2APOLBTDP1L3MBTL1HTT

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
US-9393345-B2 Medical adhesive for stemming bleeding ADHESYS MEDICAL GMBH (DE) 2016-07-19 US claimed
US-9393345-B2 Medical adhesive for stemming bleeding ADHESYS MEDICAL GMBH (DE) 2016-07-19 US disclosed
US-9393345-B2 Medical adhesive for stemming bleeding ADHESYS MEDICAL GMBH (DE) 2016-07-19 US disclosed
US-20140065091-A1 MEDICAL ADHESIVE FOR STEMMING BLEEDING BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-06 US disclosed
US-20140065091-A1 MEDICAL ADHESIVE FOR STEMMING BLEEDING BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-06 US disclosed