SCHEMBL4584118

SCHEMBL4584118

O=C(O)C=Cc1cc2c(cc1[N+](=O)[O-])OCCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.55
ALDH1A1 P00352 11/20 0.50
KDM4E B2RXH2 5/20 0.50
PLK1 P53350 1/20 0.47
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PABPC1 P11940 1/20 0.44
EIF4H Q15056 1/20 0.44
LMNA P02545 3/20 0.43
MET P08581 1/20 0.43
MAPK1 P28482 3/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL1613586 0.91 MAPT (0.55) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL12004153 0.91 MAPT (0.55) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1613587 0.91 MAPT (0.55) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL15579442 0.80 MAPT (0.49) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL11696288 0.78 MAPT (0.47) MAPTALDH1A1KDM4EPLK1CYP1A2
SCHEMBL15189023 0.78 MAPT (0.59) MAPTALDH1A1KDM4EHTTCYP1A2
SCHEMBL15189030 0.76 MAPT (0.57) MAPTALDH1A1KDM4EHTTCYP1A2
SCHEMBL30472192 0.76 MAPT (0.58) MAPTALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL7065418 0.76 MAOB (0.65) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL5716830 0.76 MAOB (0.65) MAPTALDH1A1KDM4ECYP1A2CYP3A4

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
JP-2008167764-A ENHANCED PRODUCTION OF TAXANE BY CELL CULTURE OF TAXUS SPECIES DFB BIOTECH INC 2008-07-24 JP disclosed