SCHEMBL8117366

SCHEMBL8117366

CC(C)CCCCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CRHBP P24387 1/20 0.63
CRHR2 Q13324 1/20 0.63
HRH3 Q9Y5N1 1/20 0.56
KCNH2 Q12809 2/20 0.55
GAA P10253 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RARB P10826 1/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL13251238 0.94 MAPT (0.58) MAPTL3MBTL1CRHBPCRHR2HRH3
SCHEMBL2564281 0.89 TDP1 (0.56) MAPTL3MBTL1CRHBPCRHR2KCNH2
SCHEMBL10559291 0.87 HRH3 (0.69) MAPTL3MBTL1CRHBPCRHR2HRH3
SCHEMBL10558691 0.87 HRH3 (0.69) MAPTL3MBTL1CRHBPCRHR2HRH3
SCHEMBL9570637 0.87 HRH3 (0.69) MAPTL3MBTL1CRHBPCRHR2HRH3
SCHEMBL10554981 0.87 HRH3 (0.69) MAPTL3MBTL1CRHBPCRHR2HRH3
SCHEMBL5390369 0.87 HRH3 (0.69) MAPTL3MBTL1CRHBPCRHR2HRH3
SCHEMBL10556391 0.87 HRH3 (0.69) MAPTL3MBTL1CRHBPCRHR2HRH3
SCHEMBL9570561 0.87 HRH3 (0.69) MAPTL3MBTL1CRHBPCRHR2HRH3
SCHEMBL7805048 0.86 MAPT (0.65) MAPTL3MBTL1CRHBPCRHR2HRH3

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-0632031-B1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 2000-05-03 EP disclosed
US-5496853-A FOR TREATING HYPERCHOLESTEROLEMIA TEIJIN LIMITED (JP) 1996-03-05 US disclosed
EP-0632031-A1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1995-01-04 EP disclosed