SCHEMBL8957299

SCHEMBL8957299

O=[N+]([O-])OCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
KCNH2 Q12809 3/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA4 P22748 3/20 0.53
CA9 Q16790 3/20 0.53
PTGS2 P35354 2/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
LTA4H P09960 1/20 0.51
PTGS1 P23219 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL6228523 0.90 MAPT (0.65) MAPTALDH1A1GAAKCNH2DRD2
SCHEMBL30719663 0.85 MAPT (0.59) MAPTALDH1A1GAAKCNH2DRD2
SCHEMBL13264901 0.85 ALDH1A1 (0.62) MAPTALDH1A1GAAKCNH2DRD2
SCHEMBL8456712 0.85 ALDH1A1 (0.62) MAPTALDH1A1GAAKCNH2DRD2
SCHEMBL9570575 0.84 DRD2 (0.65) MAPTALDH1A1KCNH2DRD2DRD4
SCHEMBL5286113 0.83 DRD2 (0.73) MAPTALDH1A1GAAKCNH2DRD2
SCHEMBL9570561 0.82 HRH3 (0.69) MAPTALDH1A1KCNH2DRD2DRD4
SCHEMBL5390369 0.82 HRH3 (0.69) MAPTALDH1A1KCNH2DRD2DRD4
SCHEMBL10554981 0.82 HRH3 (0.69) MAPTALDH1A1KCNH2DRD2DRD4
SCHEMBL10556391 0.82 HRH3 (0.69) MAPTALDH1A1KCNH2DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0689435-A1 USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1996-01-03 EP claimed
WO-1994021248-A1 USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1994-09-29 WO claimed
EP-0689435-A1 USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1996-01-03 EP disclosed
WO-1994021248-A1 USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1994-09-29 WO disclosed