SCHEMBL4737871

SCHEMBL4737871

CCCOCCCn1c(Cc2ccccc2)nc(O)cc1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.42
APLNR P35414 4/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX12 P18054 1/20 0.39
KDM4E B2RXH2 4/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL4737869 0.84 ALDH1A1 (0.45) GSK3BALDH1A1HPGDSMN1; SMN2ALOX12
SCHEMBL4741835 0.76 LMNA (0.51) GSK3BALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL4738614 0.71 GSK3B (0.46) GSK3BALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL4739125 0.70 GSK3B (0.51) GSK3BAPLNRALDH1A1SMN1; SMN2KDM4E
SCHEMBL4739999 0.70 LMNA (0.45) GSK3BALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL4739176 0.67 TSHR (0.50) APLNRALDH1A1HPGDKDM4ELMNA
SCHEMBL3521617 0.64 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL11367386 0.63 ALDH1A1 (0.55) ALDH1A1HPGDSMN1; SMN2ALOX12KDM4E
SCHEMBL4871162 0.61 IDO1 (0.55) LMNAMEN1KMT2ATDP1ADRA2A
SCHEMBL4739122 0.61 KMT2A (0.47) GSK3BALDH1A1HPGDSMN1; SMN2KDM4E

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-2008089051-A1 N-SUBSTITUTED GLYCINE DERIVATIVES: PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO disclosed