SCHEMBL7051937

SCHEMBL7051937

CCOC(=O)c1[nH]c(C)c([N+](=O)[O-])c1O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 5/20 0.50
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.46
TSHR P16473 3/20 0.46
GAA P10253 2/20 0.44
HTT P42858 2/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.43
AR P10275 1/20 0.43

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
SCHEMBL3023400 0.86 HPGD (0.63) HPGDCYP1A2CYP2C9CYP2C19POLB
SCHEMBL7051466 0.82 HPGD (0.50) HPGDCYP1A2CYP2C9CYP2C19POLB
SCHEMBL11279116 0.76 CYP1A2 (0.72) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2932942 0.75 CYP1A2 (0.59) HPGDCYP1A2CYP2C9CYP2C19POLB
SCHEMBL7056757 0.75 CYP1A2 (0.59) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4717450 0.74 POLB (0.50) HPGDCYP1A2CYP2C9CYP2C19POLB
SCHEMBL9268773 0.74 POLB (0.71) HPGDCYP1A2CYP2C19POLBALDH1A1
SCHEMBL30433473 0.73 POLB (0.66) HPGDCYP1A2CYP2C9CYP2C19POLB
SCHEMBL8252856 0.72 ALDH1A1 (0.73) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL5416309 0.72 PDE4D (0.50) HPGDCYP1A2CYP2C9CYP2C19POLB

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
WO-2003020877-A2 STAINING AND SORTING GENOMES AND CHROMOSOMES USING SEQUENCE-SPECIFIC POLYAMIDES PHARMACIA CORPORATION (US) 2003-03-13 WO disclosed
WO-2002004417-A1 PROCESS FOR THE PREPARATION OF DERIVATIVES OF 4-AMINO-3-HYDROXYPYRROLE-2-CARBOXYLIC ACID PHARMACIA CORPORAION (US) 2002-01-17 WO disclosed