SCHEMBL8957457

SCHEMBL8957457

O=[N+]([O-])OCCC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GSR P00390 2/20 0.37
NFE2L2 Q16236 1/20 0.37
CYP1A2 P05177 1/20 0.35
EPHX1 P07099 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 4/20 0.34
SIGMAR1 Q99720 1/20 0.33
CYP19A1 P11511 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33

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
SCHEMBL7822303 0.80 MMP2 (0.38) MMP2MMP9ALDH1A1GSR
SCHEMBL8259490 0.80 MMP2 (0.38) MMP2MMP9ALDH1A1
Hydrochloric Acid SCHEMBL7808393 0.79 MMP2 (0.34) MMP2MMP9ALDH1A1
SCHEMBL8957322 0.78 CCNA2 (0.41) MMP2MMP9ALDH1A1GSRCYP19A1
SCHEMBL9330370 0.77 MMP2 (0.41) MMP2MMP9ALDH1A1
Cyclopropane SCHEMBL7531022 0.77 ALDH1A1 (0.46) ALDH1A1GSR
SCHEMBL30745967 0.75 ALDH1A1 (0.33) MMP2MMP9ALDH1A1
SCHEMBL7809279 0.75 MMP2 (0.34) MMP2MMP9ALDH1A1
SCHEMBL9332559 0.72 PRMT3 (0.39) MMP2MMP9
SCHEMBL7828796 0.72 MMP2 (0.31) MMP2MMP9

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