SCHEMBL9062019

SCHEMBL9062019

COc1cc(OC(=O)Oc2ccccc2)c([N+](=O)[O-])cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALDH1A1 P00352 6/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
HTT P42858 1/20 0.44
TTR P02766 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9062006 0.81 RAB9A (0.52) LMNAALDH1A1TDP1CYP3A4KDM4E
SCHEMBL11226456 0.81 ALDH1A1 (0.50) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL5704376 0.79 KMT2A (0.54) ALDH1A1TDP1KDM4EHPGDKMT2A
SCHEMBL11226152 0.78 PDE7A (0.50) LMNAALDH1A1TDP1CYP3A4KDM4E
SCHEMBL7158694 0.77 TNFSF11 (0.56) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL2042498 0.76 ALDH1A1 (0.50) LMNAALDH1A1TDP1CYP3A4KDM4E
SCHEMBL30661876 0.76 ALDH1A1 (0.50) LMNAALDH1A1TDP1CYP3A4KDM4E
SCHEMBL3462389 0.76 ALDH1A1 (0.50) LMNAALDH1A1TDP1CYP3A4KDM4E
SCHEMBL19025062 0.76 ALDH1A1 (0.71) LMNAALDH1A1TDP1KDM4EHPGD
SCHEMBL7882509 0.75 HPGD (0.54) LMNAALDH1A1KDM4EHPGDKMT2A

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-5482867-A Spatially-addressable immobilization of anti-ligands on surfaces AFFYMAX TECHNOLOGIES N.V. (NL) 1996-01-09 US disclosed
US-5451683-A Spatially-addressable immobilization of anti-ligands on surfaces AFFYMAX TECHNOLOGIES N.V. 1995-09-19 US disclosed
US-5252743-A Using cage binding compound AFFYMAX TECHNOLOGIES N.V. (NL) 1993-10-12 US disclosed
EP-0502060-A4 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES 1993-05-05 EP disclosed
EP-0502060-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1992-09-09 EP disclosed
WO-1991007087-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1991-05-30 WO disclosed