SCHEMBL7875955

SCHEMBL7875955

CCOC(=O)C(C)=Cc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 4/20 0.43
GLO1 Q04760 1/20 0.43
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PTPN1 P18031 1/20 0.42
FBP1 P09467 1/20 0.42
PKM P14618 1/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PSMD14 O00487 1/20 0.41
BLM P54132 1/20 0.41
KCNMA1 Q12791 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL7882400 0.90 KMT2A (0.48) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7828149 0.89 MAPT (0.49) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7817919 0.88 MAPT (0.48) TDP1ALDH1A1KDM4EMEN1KMT2A
Potassium Ion SCHEMBL7817917 0.88 MAPT (0.48) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12992273 0.86 GLO1 (0.52) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30467446 0.84 MAPT (0.58) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL16906143 0.84 MAPT (0.58) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7882404 0.83 PTGS2 (0.55) TDP1ALDH1A1KDM4EMAPTGLO1
SCHEMBL3591100 0.82 KMT2A (0.53) TDP1ALDH1A1KDM4EKMT2AMAPT
SCHEMBL3591104 0.82 KMT2A (0.53) TDP1ALDH1A1KDM4EKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329546-B1 FOR INVESTIGATING THE MECHANISM OF ACTION OF A PHYSIOLOGICALLY ACTIVE AMINO ACID COMPOUND SUCH AS GLUTAMIC ACID IN AN ORGANISM LABORATORY OF MOLECULAR BIOPHOTONICS (JP) 2001-12-11 US disclosed
US-6229020-B1 REACTING N-SUCCINIMIDYL AND P-NITROPHENYL CINNAMATE DERIVATIVES WITH PHYSIOLOGICALLY ACTIVE SUBSTANCE SUCH AS AN AMINO ACID; PROTECTING AMINO OR HYDROXY GROUPS FOR ANALYSIS OF BIOLOGICAL REACTIONS BY IRRADIATION WITH LIGHT LABORATORY OF MOLECULAR BIOPHOTONICS (JP) 2001-05-08 US disclosed