SCHEMBL8613997

SCHEMBL8613997

O=[N+]([O-])c1ccccc1CO[PH](=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
MAOB P27338 1/20 0.50
HPGD P15428 1/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
RECQL P46063 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8613991 1.00 ALDH1A1 (0.51) ALDH1A1TSHRHTTMAOBHPGD
Butane SCHEMBL11744413 0.94 MAOB (0.49) ALDH1A1TSHRHTTMAOBHPGD
SCHEMBL1542530 0.86 ALDH1A1 (0.55) ALDH1A1TSHRHTTMAOBHPGD
SCHEMBL8723683 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHTTMAOBHPGD
SCHEMBL12006800 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHTTMAOBHPGD
SCHEMBL28339719 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHTTMAOBHPGD
SCHEMBL77922 0.78 ALDH1A1 (0.62) ALDH1A1TSHRHTTMAOBHPGD
SCHEMBL10777115 0.77 ALDH1A1 (0.56) ALDH1A1TSHRHTTMAOBHPGD
SCHEMBL2232577 0.77 ALDH1A1 (0.51) ALDH1A1TSHRHTTMAOBHPGD
SCHEMBL11009579 0.77 MAOB (0.54) ALDH1A1TSHRHTTMAOBHPGD

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
US-5851724-A Method for producing lithographic plates with imaging elements comprising a photosensitive acid precursor AGFA-GEVAERT, N.V. (BE) 1998-12-22 US claimed
EP-0701173-B1 Method for producing lithographic plates with imaging elements comprising a photosensitive acid precusor AGFA GEVAERT NV (BE) 1997-11-12 EP claimed
EP-0701173-A1 Method for producing lithographic plates with imaging elements comprising a photosensitive acid precusor AGFA-GEVAERT N.V. (BE) 1996-03-13 EP claimed