SCHEMBL8209682

SCHEMBL8209682

CC(=O)OCc1cc(CCCCCCCN2C(=O)c3ccccc3C2=O)cc(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 5/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
CYP3A4 P08684 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2D6 P10635 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
HTT P42858 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC8 Q9BY41 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 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
SCHEMBL9395271 0.94 TDP1 (0.53) TDP1L3MBTL1ALDH1A1GAAHPGD
SCHEMBL8189201 0.83 TDP1 (0.66) TDP1L3MBTL1ALDH1A1GAAHPGD
SCHEMBL8191589 0.79 MEN1 (0.50) TDP1L3MBTL1ALDH1A1GAAHPGD
SCHEMBL9395615 0.78 TDP1 (0.47) TDP1L3MBTL1ALDH1A1HPGDCYP3A4
SCHEMBL8178781 0.76 TDP1 (0.62) TDP1L3MBTL1CYP3A4CYP2C9CYP1A2
SCHEMBL8191568 0.76 MEN1 (0.49) TDP1L3MBTL1ALDH1A1GAAHPGD
SCHEMBL8178771 0.74 TDP1 (0.62) TDP1L3MBTL1KMT2AMEN1HTT
SCHEMBL28801777 0.71 ALDH1A1 (0.64) ALDH1A1GAAHPGDKMT2APOLB
SCHEMBL15955998 0.71 TDP1 (0.67) TDP1L3MBTL1POLBGPR84HDAC8
SCHEMBL9395277 0.71 TDP1 (0.49) TDP1L3MBTL1ALDH1A1HPGDCYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127529-A FORMS STABLE CHELATE COMPOUND USEFUL FOR LABELING BIOLOGICAL TARGETING COMPOUND RESIDUE WALLAC OY (FI) 2000-10-03 US disclosed
EP-0298939-B1 Metal-chelating 2,6-disubstituted pyridine compounds and their use WALLAC OY (FI) 1994-01-12 EP disclosed
EP-0378652-A1 OLIGONUCLEOTIDE HYBRIDIZATION PROBES AND MEANS FOR THE SYNTHESIS OF THE MOST PREFERRED PROBES WALLAC OY (FI) 1990-07-25 EP disclosed
WO-1990000622-A1 OLIGONUCLEOTIDE HYBRIDIZATION PROBES AND MEANS FOR THE SYNTHESIS OF THE MOST PREFERRED PROBES WALLAC OY (FI) 1990-01-25 WO disclosed
EP-0298939-A1 Metal-chelating 2,6-disubstituted pyridine compounds and their use WALLAC OY (FI) 1989-01-11 EP disclosed