SCHEMBL27613764

SCHEMBL27613764

NCCNCC(N)CCC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP2 P08253 3/20 0.43
HTT P42858 1/20 0.43
EPHX2 P34913 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC15A1 P46059 2/20 0.41
SIRT2 Q8IXJ6 2/20 0.40
SIRT1 Q96EB6 2/20 0.40
SIRT3 Q9NTG7 2/20 0.40

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
SCHEMBL24925176 0.89 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1HPGDMAPK1
SCHEMBL28753712 0.87 SLC15A1 (0.48) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL27698377 0.84 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1HPGDMAPK1
SCHEMBL22273540 0.83 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1HPGDMAPK1
SCHEMBL17177605 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL1627692 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL8256163 0.80 KMT2A (0.46) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL8046848 0.80 KMT2A (0.46) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL8146945 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1HPGDMAPK1
SCHEMBL4137685 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1HPGDMAPK1

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
CN-1599577-A Peptide-based multimeric targeted contrast media EPIX MEDICAL INC (US) 2005-03-23 CN disclosed