SCHEMBL9323971

SCHEMBL9323971

COC(=O)c1ccccc1OCCCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
HSP90AA1 P07900 2/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HDAC3 O15379 5/20 0.54
HDAC4 P56524 5/20 0.54
HDAC1 Q13547 5/20 0.54
HDAC7 Q8WUI4 5/20 0.54
HDAC2 Q92769 5/20 0.54
HDAC10 Q969S8 5/20 0.54
HDAC11 Q96DB2 5/20 0.54
HDAC8 Q9BY41 5/20 0.54
HDAC6 Q9UBN7 5/20 0.54
HDAC9 Q9UKV0 5/20 0.54
HDAC5 Q9UQL6 5/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL28074644 0.87 MAPT (0.58) MAPTHSP90AA1HTTNPSR1HDAC6
SCHEMBL2454087 0.87 ALDH1A1 (0.71) MAPTHSP90AA1HTTNPSR1ALDH1A1
Benzene SCHEMBL28006415 0.84 MAPT (0.60) MAPTHSP90AA1HTTNPSR1HDAC6
SCHEMBL7956581 0.82 MAPT (0.62) MAPTHSP90AA1HTTNPSR1HDAC6
SCHEMBL11421571 0.81 SLC6A3 (0.55) MAPTNPSR1SMN1; SMN2RAB9AMEN1
SCHEMBL6280141 0.81 HSP90AA1 (0.59) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL25365376 0.80 NPSR1 (0.63) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL7317665 0.80 MAPT (0.82) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL7981719 0.79 MAPT (0.62) MAPTHSP90AA1HTTNPSR1HDAC6
SCHEMBL19973714 0.79 MAPT (0.62) MAPTHSP90AA1HTTNPSR1HDAC6

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
US-5374772-A Skin disorders, antiinflammatory agents, cardiovascular disorders HOFFMANN-LAROCHE INC. (US) 1994-12-20 US disclosed