SCHEMBL8562291

SCHEMBL8562291

COC(=O)c1ccc(OCC(N)=O)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PRSS1 P07477 4/20 0.53
VCAM1 P19320 1/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.47
PLA2G4B P0C869 1/20 0.47

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
SCHEMBL8570002 0.90 AR (0.57) ALDH1A1HPGDNPSR1PRSS1VCAM1
SCHEMBL532856 0.88 ALDH1A1 (0.56) ALDH1A1HPGDNPSR1PRSS1VCAM1
SCHEMBL12569892 0.88 ALDH1A1 (0.56) ALDH1A1HPGDNPSR1PRSS1VCAM1
SCHEMBL18580876 0.87 ALDH1A1 (0.55) ALDH1A1HPGDNPSR1PRSS1VCAM1
SCHEMBL17512389 0.85 GAA (0.64) ALDH1A1HPGDNPSR1VCAM1MAPT
SCHEMBL5149916 0.84 PRSS1 (0.56) ALDH1A1HPGDNPSR1PRSS1VCAM1
SCHEMBL2687080 0.84 LMNA (0.56) ALDH1A1HPGDNPSR1VCAM1MAPT
SCHEMBL11790540 0.83 ALDH1A1 (0.56) ALDH1A1HPGDNPSR1PRSS1VCAM1
SCHEMBL5913915 0.83 ALDH1A1 (0.56) ALDH1A1HPGDNPSR1PRSS1VCAM1
SCHEMBL5155524 0.82 AR (0.55) ALDH1A1HPGDNPSR1PRSS1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed