SCHEMBL28973013

SCHEMBL28973013

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
POLB P06746 1/20 0.38
LTA4H P09960 4/20 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
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM1 P11229 1/20 0.34

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
SCHEMBL25825870 0.94 L3MBTL1 (0.44) KMT2AALDH1A1MAPTL3MBTL1GAA
SCHEMBL16239707 0.84 KMT2A (0.43) KMT2AALDH1A1L3MBTL1GAAMGAM
SCHEMBL12470925 0.83 KMT2A (0.44) KMT2AALDH1A1L3MBTL1GAAMGAM
SCHEMBL16239915 0.83 KMT2A (0.42) KMT2AALDH1A1L3MBTL1GAAMGAM
SCHEMBL20188848 0.82 GAA (0.36) KMT2AALDH1A1MAPTHPGDL3MBTL1
SCHEMBL30900741 0.82 GAA (0.45) KMT2AALDH1A1L3MBTL1GAAMGAM
SCHEMBL18595367 0.82 GAA (0.45) KMT2AALDH1A1L3MBTL1GAAMGAM
SCHEMBL13791979 0.80 KMT2A (0.47) KMT2AALDH1A1L3MBTL1GAAMGAM
SCHEMBL31121509 0.80 KMT2A (0.47) KMT2AALDH1A1L3MBTL1GAAMGAM
SCHEMBL8456330 0.80 GAA (0.37) KMT2AALDH1A1MAPTHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112262002-B Compound for repairing contaminated soil or contaminated water FNG研究有限公司 2023-03-28 CN disclosed
CN-110225905-B Composition for protecting skin from heavy metals and formaldehyde FNG研究有限公司 2023-01-17 CN disclosed