SCHEMBL12470859

SCHEMBL12470859

CCOC(=O)CC(NCCCCC(CCCNC(CC(=O)OCC)C(=O)OCC)CNC(CC(=O)OCC)C(=O)OCC)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
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
FAAH O00519 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2D6 P10635 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
SCHEMBL16016332 0.90 KMT2A (0.45) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL31121509 0.85 KMT2A (0.47) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL13791979 0.85 KMT2A (0.47) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL13093481 0.84 KMT2A (0.41) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL15862759 0.84 KMT2A (0.41) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL12470864 0.82 CYP1A2 (0.31) CYP1A2CYP2C9CYP2C19HTT
SCHEMBL16239915 0.81 KMT2A (0.42) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL27641987 0.81 KMT2A (0.44) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL12470925 0.81 KMT2A (0.44) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL27641985 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673311-B1 TISSUE ADHESIVE BASED ON TRIFUNCTIONAL ASPARTATES BAYER MATERIALSCIENCE AG (DE) 2014-09-10 EP disclosed
EP-2673311-B1 TISSUE ADHESIVE BASED ON TRIFUNCTIONAL ASPARTATES BAYER MATERIALSCIENCE AG (DE) 2014-09-10 EP disclosed
EP-2673311-A1 TISSUE ADHESIVE BASED ON TRIFUNCTIONAL ASPARTATES Bayer Materialscience AG (DE) 2013-12-18 EP disclosed
WO-2012107386-A1 TISSUE ADHESIVE BASED ON TRIFUNCTIONAL ASPARTATES BAYER MATERIALSCIENCE AG (DE) 2012-08-16 WO disclosed