SCHEMBL4352600

SCHEMBL4352600

CNc1ccccc1C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.58
POLB P06746 2/20 0.58
ATM Q13315 1/20 0.58
ALDH1A1 P00352 9/20 0.40
HPGD P15428 7/20 0.40
HSD17B10 Q99714 5/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KCNA3 P22001 1/20 0.40
CRBN Q96SW2 1/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 2/20 0.39
ADRA1D P25100 1/20 0.39

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
SCHEMBL25063097 0.85 CYP2C19 (0.49) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL74375 0.83 TSHR (0.49) KDM4EPOLBATMALDH1A1HPGD
SCHEMBL9890035 0.80 RXFP1 (0.46) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL8335906 0.80 ITGB1 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL1509182 0.79 GAA (0.41) KDM4EALDH1A1HPGDHSD17B10ALOX12
SCHEMBL29811031 0.78 MGLL (0.39) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL21668622 0.78 KDM4E (0.35) KDM4EPOLBATMALDH1A1HPGD
SCHEMBL5303474 0.78 ALDH1A1 (0.48) KDM4EPOLBALDH1A1HPGDALOX12
SCHEMBL8540066 0.78 TSHR (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL30505257 0.77 CYP1A2 (0.46) KDM4EALDH1A1KMT2AMEN1GAA

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
EP-2053403-A2 Affinity fishing for ligands and proteins receptors Novo Nordisk A/S (DK) 2009-04-29 EP disclosed
EP-1588173-B1 AFFINITY FISHING FOR LIGANDS AND PROTEINS RECEPTORS NOVO NORDISK AS (DK) 2008-11-26 EP disclosed
US-20060257875-A1 Affinity screening using \"one-bead-one-compound\" libraries CARLSBERG A/S (DK) 2006-11-16 US disclosed
US-20060003376-A1 Non-destructive quality control method for microarray substrate coatings via labeled doping CONZONE SAMUEL D 2006-01-05 US disclosed
US-20040142379-A1 Affinity fishing for ligands and proteins receptors CARLSBERG RESEARCH LABORATORY (DK) 2004-07-22 US disclosed