SCHEMBL11238477

SCHEMBL11238477

COc1cc(OP(=O)(Oc2ccc(/C=C/[N+](=O)[O-])c(OC)c2)Oc2ccc(/C=C/[N+](=O)[O-])c(OC)c2)ccc1/C=C/[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 6/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 3/20 0.49
HTT P42858 2/20 0.49
MITF O75030 1/20 0.49
HSP90AA1 P07900 1/20 0.49
PRMT1 Q99873 1/20 0.49
CYP1A2 P05177 9/20 0.49
CYP1A1 P04798 7/20 0.49
CYP1B1 Q16678 7/20 0.49
VCP P55072 2/20 0.48
FBP1 P09467 2/20 0.48
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP2C9 P11712 2/20 0.47
HPGD P15428 2/20 0.47
NTSR1 P30989 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL11238483 0.89 MAPT (0.48) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL11238478 0.89 MAPT (0.48) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL3100263 0.87 CYP1A2 (0.66) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL3100253 0.87 CYP1A2 (0.66) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL34462897 0.80 MAPT (0.55) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL1804005 0.77 PRMT1 (0.54) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL30823746 0.77 PRMT1 (0.54) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL34462751 0.77 PRMT1 (0.57) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL1569821 0.77 PRMT1 (0.54) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL1801907 0.77 PRMT1 (0.54) MAPTALDH1A1LMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4318986-A Enzyme assays NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1982-03-09 US disclosed
EP-0007372-A1 Methods and reagents for the assay of enzymes NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1980-02-06 EP disclosed
WO-1979000255-A1 ENZYME ASSAYS NAT RES DEV (GB) 1979-05-17 WO disclosed