SCHEMBL30867117

SCHEMBL30867117

CCCCCOc1cc(C=O)c([N+](=O)[O-])cc1OCCCCC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 1/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX15 P16050 1/20 0.60
PRKDC P78527 1/20 0.60
HSD17B10 Q99714 1/20 0.60
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
ESR1 P03372 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CYP19A1 P11511 4/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
PLA2G4B P0C869 1/20 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
SCHEMBL24865993 1.00 MAPT (0.60) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL28403523 0.99 MAPT (0.59) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL28403147 0.99 MAPT (0.59) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL28402997 0.99 MAPT (0.59) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL14294326 0.95 MAPT (0.62) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL5903503 0.95 ALDH1A1 (0.71) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL16067478 0.91 ALDH1A1 (0.69) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL14129360 0.90 ALDH1A1 (0.73) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL13299047 0.90 ALDH1A1 (0.73) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL28629055 0.87 ALDH1A1 (0.77) MAPTALDH1A1KDM4ECYP3A4ALOX15

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-117858885-A Method and device for purifying nucleotide, and hydrophobic reagent and hydrophobic substrate 国立研究开发法人科学技术振兴机构 2024-04-09 CN disclosed