SCHEMBL8137263

SCHEMBL8137263

CCOCCOCCN(CCC#N)c1ccc(C=O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.41
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
SLC16A3 O15427 2/20 0.35
SLC16A1 P53985 2/20 0.35
ALOX15 P16050 1/20 0.34
MEN1 O00255 2/20 0.34
THRB P10828 1/20 0.34
CRHR1 P34998 2/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL10936725 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL9835918 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL4379763 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL8070032 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL2324164 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL11580176 0.75 SLC16A3 (0.46) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL11119766 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL11433585 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ASMN1; SMN2NPC1
SCHEMBL11697918 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL9835446 0.73 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AGAAMAPT

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-6057085-A Color photographic recording material AGFA-GEVAERT NV (BE) 2000-05-02 US disclosed