SCHEMBL6438537

SCHEMBL6438537

O=[N+]([O-])OC[C@H]1CC[C@H](CO[N+](=O)[O-])CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
GSR P00390 4/20 0.34
SIGMAR1 Q99720 1/20 0.34
TLR4 O00206 1/20 0.33
TLR2 O60603 1/20 0.33
TSHR P16473 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30

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
SCHEMBL23829716 1.00
SCHEMBL9875012 1.00 ALDH1A1 (0.40) ALDH1A1MMP2MMP9GSRSIGMAR1
SCHEMBL8957450 0.90
SCHEMBL9152348 0.89 ALDH1A1 (0.33) ALDH1A1MMP2MMP9SIGMAR1
SCHEMBL8957322 0.88 CCNA2 (0.41) ALDH1A1MMP2MMP9GSRTLR4
Hydrochloric Acid SCHEMBL7816304 0.87 MMP2 (0.34) ALDH1A1MMP2MMP9
Hydrochloric Acid SCHEMBL7816874 0.87 PLG (0.36) ALDH1A1MMP2MMP9
SCHEMBL7817737 0.84 MMP2 (0.35) ALDH1A1MMP2MMP9GSRSIGMAR1
SCHEMBL8260874 0.84 TDP1 (0.36) ALDH1A1MMP2MMP9
SCHEMBL23927593 0.84 PLG (0.47) ALDH1A1MMP2MMP9GSRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050181066-A1 Novel use of guanylate cyclase activators for the treatment of respiratory insufficiency ALTANA PHARMA AG (DE) 2005-08-18 US claimed
EP-1501605-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA Pharma AG (DE) 2005-02-02 EP claimed
WO-2003090870-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA PHARMA AG (DE) 2003-11-06 WO claimed
US-20050181066-A1 Novel use of guanylate cyclase activators for the treatment of respiratory insufficiency ALTANA PHARMA AG (DE) 2005-08-18 US disclosed
EP-1501605-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA Pharma AG (DE) 2005-02-02 EP disclosed
WO-2003090870-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA PHARMA AG (DE) 2003-11-06 WO disclosed