SCHEMBL9696005

SCHEMBL9696005

CCOCC(OCC)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
CASP3 P42574 1/20 0.39
ALDH1A1 P00352 6/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 3/20 0.38
VDR P11473 2/20 0.38
F2 P00734 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 2/20 0.35
HPGD P15428 2/20 0.35
CYP3A4 P08684 1/20 0.35
XBP1 P17861 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
PDE4A P27815 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
SCHEMBL10439427 0.81 GAA (0.45) GAACASP3ALDH1A1MAPTKDM4E
SCHEMBL16234615 0.79 GAA (0.44) GAACASP3ALDH1A1MAPTKDM4E
SCHEMBL3713532 0.79 GAA (0.47) GAACASP3ALDH1A1MAPTKDM4E
SCHEMBL3262594 0.75 HPGD (0.49) GAAMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL563821 0.72 KMT2A (0.47) ALDH1A1HPGDKMT2A
SCHEMBL4869158 0.72 GAA (0.47) GAACASP3ALDH1A1MAPTKDM4E
SCHEMBL9109894 0.71 TDP1 (0.60) GAACASP3ALDH1A1KDM4EPOLB
SCHEMBL15581867 0.70 GAA (0.46) GAACASP3ALDH1A1MAPTKDM4E
SCHEMBL4874091 0.70 GAA (0.46) GAACASP3ALDH1A1MAPTKDM4E
SCHEMBL16234617 0.70 GAA (0.59) GAAALDH1A1MAPTKDM4EVDR

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-5120849-A Reacting cyclic imidoether with aminoalcohol BASF AKTIENGESELLSCHAFT (DE) 1992-06-09 US disclosed