SCHEMBL28829301

SCHEMBL28829301

CC(=O)N(C)OP(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
ALOX5 P09917 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAOB P27338 2/20 0.41
HCAR2 Q8TDS4 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR2C P28335 1/20 0.38
BRD4 O60885 1/20 0.38
EGFR P00533 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL30002087 0.79 TSHR (0.43) ALDH1A1ALOX5MAPTHPGDMAPK1
SCHEMBL7045980 0.78 ALDH1A1 (0.55) ALDH1A1ALOX5PTGS1PTGS2MAPT
SCHEMBL5425024 0.73 TSHR (0.40) ALDH1A1MAPTMAPK1L3MBTL1SLC6A2
SCHEMBL194803 0.72 TSHR (0.57) ALDH1A1ALOX5PTGS1PTGS2MAPT
SCHEMBL4869141 0.71 TSHR (0.39) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL11687302 0.70 TSHR (0.55) ALDH1A1ALOX5PTGS1PTGS2MAPT
SCHEMBL9052472 0.69 TSHR (0.48) ALDH1A1PTGS1PTGS2MAPTMAOB
SCHEMBL383496 0.69 TSHR (0.48) ALDH1A1PTGS1PTGS2MAPTMAOB
Carbon Monoxide SCHEMBL11680342 0.69 TSHR (0.48) ALDH1A1PTGS1PTGS2HCAR2MAPK1
SCHEMBL11189042 0.69 CA12 (0.54) ALDH1A1MAPTHPGDHCAR2NPC1

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
CN-105637013-A Method for producing polyether carbonate polyols COVESTRO DEUTSCHLAND AG 2016-06-01 CN disclosed