SCHEMBL25825870

SCHEMBL25825870

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 3/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CAD P27708 1/20 0.37

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
SCHEMBL28973013 0.94 KMT2A (0.40) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL16239707 0.90 KMT2A (0.43) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL12470925 0.88 KMT2A (0.44) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL16239915 0.88 KMT2A (0.42) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL30900741 0.87 GAA (0.45) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL18595367 0.87 GAA (0.45) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL31121509 0.86 KMT2A (0.47) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL13791979 0.86 KMT2A (0.47) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL5474645 0.84 KMT2A (0.47) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL9729395 0.83 GAA (0.48) L3MBTL1GAAMGAMSIMGAM2

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
WO-2023123747-A1 HYDROGEN ABSTRACTION PHOTOINITIATOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 广州鹿山光电材料有限公司 2023-07-06 WO disclosed