SCHEMBL16234615

SCHEMBL16234615

CCOC(OCC)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
VDR P11473 2/20 0.42
KDM4E B2RXH2 2/20 0.42
F2 P00734 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CASP3 P42574 1/20 0.40
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.39
TNF P01375 1/20 0.39
RECQL P46063 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 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
SCHEMBL9696005 0.79 GAA (0.42) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL4869158 0.78 GAA (0.47) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL3713532 0.78 GAA (0.47) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL15581867 0.76 GAA (0.46) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL4874091 0.76 GAA (0.46) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL2081294 0.75 GAA (0.62) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL2078111 0.75 KMT2A (0.49) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL10439427 0.75 GAA (0.45) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL22847644 0.73 TSHR (0.45) ALDH1A1MAPTKDM4ETDP1KMT2A
Water SCHEMBL8678452 0.73 GAA (0.60) GAAALDH1A1MAPTVDRKDM4E

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
US-9458248-B2 Cellulose mixed esters RESENE PAINTS LIMITED (NZ) 2016-10-04 US disclosed
US-20140331895-A1 ORGANIC COMPOUNDS RESENE PAINTS LIMITED (NZ) 2014-11-13 US disclosed