SCHEMBL8087898

SCHEMBL8087898

COC(=O)OC1=C(N)OC(C)=C(C(C)=O)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2C9 P11712 4/20 0.45
CYP2C19 P33261 4/20 0.45
HIF1A Q16665 3/20 0.45
LMNA P02545 3/20 0.45
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45
NFKB1 P19838 2/20 0.45
THPO P40225 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
NR3C2 P08235 1/20 0.44
ADORA3 P0DMS8 2/20 0.44

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
SCHEMBL8603803 0.84 MAPT (0.67) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL9018579 0.82 MAPT (0.47) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8393788 0.81 MAPT (0.69) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL11797834 0.78 MAPT (0.68) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL8084364 0.78 TSHR (0.43) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL10352579 0.77 MEN1 (0.61) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL10652678 0.76 CYP1A2 (0.49) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL10655983 0.76 CYP1A2 (0.47) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL10652165 0.75 CYP1A2 (0.48) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL11317222 0.74 MEN1 (0.57) MAPTMEN1KMT2ACYP1A2CYP3A4

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
EP-0758647-A1 Acyl substituted aminopyrans with a modulating effect on calcium channels BAYER AG (DE) 1997-02-19 EP claimed
EP-0758647-B1 Acyl substituted aminopyrans with a modulating effect on calcium channels BAYER AG (DE) 2000-11-02 EP disclosed
EP-0758647-A1 Acyl substituted aminopyrans with a modulating effect on calcium channels BAYER AG (DE) 1997-02-19 EP disclosed